 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer07_STD_B3LYPDBJ_augccpVDZ.in
 Output=10_L-serine_conformer07_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
            -H     0
            S    4   1.00
                  1.301000D+01           1.968500D-02
                  1.962000D+00           1.379770D-01
                  4.446000D-01           4.781480D-01
                  1.220000D-01           5.012400D-01
            S    1   1.00
                  1.220000D-01           1.000000D+00
            S    1   1.00
                  0.0297400              1.0000000
            P    1   1.00
                  7.270000D-01           1.0000000
            P    1   1.00
                  0.1410000              1.0000000
            ****
            -He     0
            S    4   1.00
                  3.836000D+01           2.380900D-02
                  5.770000D+00           1.548910D-01
                  1.240000D+00           4.699870D-01
                  2.976000D-01           5.130270D-01
            S    1   1.00
                  2.976000D-01           1.000000D+00
            S    1   1.00
                  0.0725500              1.0000000
            P    1   1.00
                  1.275000D+00           1.0000000
            P    1   1.00
                  0.2473000              1.0000000
            ****
            -Li     0
            S    9   1.00
                  1.469000D+03           7.660000D-04
                  2.205000D+02           5.892000D-03
                  5.026000D+01           2.967100D-02
                  1.424000D+01           1.091800D-01
                  4.581000D+00           2.827890D-01
                  1.580000D+00           4.531230D-01
                  5.640000D-01           2.747740D-01
                  7.345000D-02           9.751000D-03
                  2.805000D-02          -3.180000D-03
            S    9   1.00
                  1.469000D+03          -1.200000D-04
                  2.205000D+02          -9.230000D-04
                  5.026000D+01          -4.689000D-03
                  1.424000D+01          -1.768200D-02
                  4.581000D+00          -4.890200D-02
                  1.580000D+00          -9.600900D-02
                  5.640000D-01          -1.363800D-01
                  7.345000D-02           5.751020D-01
                  2.805000D-02           5.176610D-01
            S    1   1.00
                  2.805000D-02           1.000000D+00
            S    1   1.00
                  8.600000D-03           1.000000D+00
            P    4   1.00
                  1.534000D+00           2.278400D-02
                  2.749000D-01           1.391070D-01
                  7.362000D-02           5.003750D-01
                  2.403000D-02           5.084740D-01
            P    1   1.00
                  2.403000D-02           1.000000D+00
            P    1   1.00
                  5.800000D-03           1.000000D+00
            D    1   1.00
                  1.144000D-01           1.0000000
            D    1   1.00
                  7.330000D-02           1.000000D+00
            ****
            -Be     0
            S    9   1.00
                  2.940000D+03           6.800000D-04
                  4.412000D+02           5.236000D-03
                  1.005000D+02           2.660600D-02
                  2.843000D+01           9.999300D-02
                  9.169000D+00           2.697020D-01
                  3.196000D+00           4.514690D-01
                  1.159000D+00           2.950740D-01
                  1.811000D-01           1.258700D-02
                  5.890000D-02          -3.756000D-03
            S    9   1.00
                  2.940000D+03          -1.230000D-04
                  4.412000D+02          -9.660000D-04
                  1.005000D+02          -4.831000D-03
                  2.843000D+01          -1.931400D-02
                  9.169000D+00          -5.328000D-02
                  3.196000D+00          -1.207230D-01
                  1.159000D+00          -1.334350D-01
                  1.811000D-01           5.307670D-01
                  5.890000D-02           5.801170D-01
            S    1   1.00
                  5.890000D-02           1.000000D+00
            S    1   1.00
                  1.790000D-02           1.000000D+00
            P    4   1.00
                  3.619000D+00           2.911100D-02
                  7.110000D-01           1.693650D-01
                  1.951000D-01           5.134580D-01
                  6.018000D-02           4.793380D-01
            P    1   1.00
                  6.018000D-02           1.000000D+00
            P    1   1.00
                  1.110000D-02           1.000000D+00
            D    1   1.00
                  2.354000D-01           1.0000000
            D    1   1.00
                  7.220000D-02           1.000000D+00
            ****
            -B     0
            S    9   1.00
                  4.570000D+03           6.960000D-04
                  6.859000D+02           5.353000D-03
                  1.565000D+02           2.713400D-02
                  4.447000D+01           1.013800D-01
                  1.448000D+01           2.720550D-01
                  5.131000D+00           4.484030D-01
                  1.898000D+00           2.901230D-01
                  3.329000D-01           1.432200D-02
                  1.043000D-01          -3.486000D-03
            S    9   1.00
                  4.570000D+03          -1.390000D-04
                  6.859000D+02          -1.097000D-03
                  1.565000D+02          -5.444000D-03
                  4.447000D+01          -2.191600D-02
                  1.448000D+01          -5.975100D-02
                  5.131000D+00          -1.387320D-01
                  1.898000D+00          -1.314820D-01
                  3.329000D-01           5.395260D-01
                  1.043000D-01           5.807740D-01
            S    1   1.00
                  1.043000D-01           1.000000D+00
            S    1   1.00
                  0.0310500              1.0000000
            P    4   1.00
                  6.001000D+00           3.548100D-02
                  1.241000D+00           1.980720D-01
                  3.364000D-01           5.052300D-01
                  9.538000D-02           4.794990D-01
            P    1   1.00
                  9.538000D-02           1.000000D+00
            P    1   1.00
                  0.0237800              1.0000000
            D    1   1.00
                  3.430000D-01           1.0000000
            D    1   1.00
                  0.0904000              1.0000000
            ****
            -C     0
            S    9   1.00
                  6.665000D+03           6.920000D-04
                  1.000000D+03           5.329000D-03
                  2.280000D+02           2.707700D-02
                  6.471000D+01           1.017180D-01
                  2.106000D+01           2.747400D-01
                  7.495000D+00           4.485640D-01
                  2.797000D+00           2.850740D-01
                  5.215000D-01           1.520400D-02
                  1.596000D-01          -3.191000D-03
            S    9   1.00
                  6.665000D+03          -1.460000D-04
                  1.000000D+03          -1.154000D-03
                  2.280000D+02          -5.725000D-03
                  6.471000D+01          -2.331200D-02
                  2.106000D+01          -6.395500D-02
                  7.495000D+00          -1.499810D-01
                  2.797000D+00          -1.272620D-01
                  5.215000D-01           5.445290D-01
                  1.596000D-01           5.804960D-01
            S    1   1.00
                  1.596000D-01           1.000000D+00
            S    1   1.00
                  0.0469000              1.0000000
            P    4   1.00
                  9.439000D+00           3.810900D-02
                  2.002000D+00           2.094800D-01
                  5.456000D-01           5.085570D-01
                  1.517000D-01           4.688420D-01
            P    1   1.00
                  1.517000D-01           1.000000D+00
            P    1   1.00
                  0.0404100              1.0000000
            D    1   1.00
                  5.500000D-01           1.0000000
            D    1   1.00
                  0.1510000              1.0000000
            ****
            -N     0
            S    9   1.00
                  9.046000D+03           7.000000D-04
                  1.357000D+03           5.389000D-03
                  3.093000D+02           2.740600D-02
                  8.773000D+01           1.032070D-01
                  2.856000D+01           2.787230D-01
                  1.021000D+01           4.485400D-01
                  3.838000D+00           2.782380D-01
                  7.466000D-01           1.544000D-02
                  2.248000D-01          -2.864000D-03
            S    9   1.00
                  9.046000D+03          -1.530000D-04
                  1.357000D+03          -1.208000D-03
                  3.093000D+02          -5.992000D-03
                  8.773000D+01          -2.454400D-02
                  2.856000D+01          -6.745900D-02
                  1.021000D+01          -1.580780D-01
                  3.838000D+00          -1.218310D-01
                  7.466000D-01           5.490030D-01
                  2.248000D-01           5.788150D-01
            S    1   1.00
                  2.248000D-01           1.000000D+00
            S    1   1.00
                  0.0612400              1.0000000
            P    4   1.00
                  1.355000D+01           3.991900D-02
                  2.917000D+00           2.171690D-01
                  7.973000D-01           5.103190D-01
                  2.185000D-01           4.622140D-01
            P    1   1.00
                  2.185000D-01           1.000000D+00
            P    1   1.00
                  0.0561100              1.0000000
            D    1   1.00
                  8.170000D-01           1.0000000
            D    1   1.00
                  0.2300000              1.0000000
            ****
            -O     0
            S    9   1.00
                  1.172000D+04           7.100000D-04
                  1.759000D+03           5.470000D-03
                  4.008000D+02           2.783700D-02
                  1.137000D+02           1.048000D-01
                  3.703000D+01           2.830620D-01
                  1.327000D+01           4.487190D-01
                  5.025000D+00           2.709520D-01
                  1.013000D+00           1.545800D-02
                  3.023000D-01          -2.585000D-03
            S    9   1.00
                  1.172000D+04          -1.600000D-04
                  1.759000D+03          -1.263000D-03
                  4.008000D+02          -6.267000D-03
                  1.137000D+02          -2.571600D-02
                  3.703000D+01          -7.092400D-02
                  1.327000D+01          -1.654110D-01
                  5.025000D+00          -1.169550D-01
                  1.013000D+00           5.573680D-01
                  3.023000D-01           5.727590D-01
            S    1   1.00
                  3.023000D-01           1.000000D+00
            S    1   1.00
                  0.0789600              1.0000000
            P    4   1.00
                  1.770000D+01           4.301800D-02
                  3.854000D+00           2.289130D-01
                  1.046000D+00           5.087280D-01
                  2.753000D-01           4.605310D-01
            P    1   1.00
                  2.753000D-01           1.000000D+00
            P    1   1.00
                  0.0685600              1.0000000
            D    1   1.00
                  1.185000D+00           1.0000000
            D    1   1.00
                  0.3320000              1.0000000
            ****
            -F     0
            S    9   1.00
                  1.471000D+04           7.210000D-04
                  2.207000D+03           5.553000D-03
                  5.028000D+02           2.826700D-02
                  1.426000D+02           1.064440D-01
                  4.647000D+01           2.868140D-01
                  1.670000D+01           4.486410D-01
                  6.356000D+00           2.647610D-01
                  1.316000D+00           1.533300D-02
                  3.897000D-01          -2.332000D-03
            S    9   1.00
                  1.471000D+04          -1.650000D-04
                  2.207000D+03          -1.308000D-03
                  5.028000D+02          -6.495000D-03
                  1.426000D+02          -2.669100D-02
                  4.647000D+01          -7.369000D-02
                  1.670000D+01          -1.707760D-01
                  6.356000D+00          -1.123270D-01
                  1.316000D+00           5.628140D-01
                  3.897000D-01           5.687780D-01
            S    1   1.00
                  3.897000D-01           1.000000D+00
            S    1   1.00
                  0.0986300              1.0000000
            P    4   1.00
                  2.267000D+01           4.487800D-02
                  4.977000D+00           2.357180D-01
                  1.347000D+00           5.085210D-01
                  3.471000D-01           4.581200D-01
            P    1   1.00
                  3.471000D-01           1.000000D+00
            P    1   1.00
                  0.0850200              1.0000000
            D    1   1.00
                  1.640000D+00           1.0000000
            D    1   1.00
                  0.4640000              1.0000000
            ****
            -Ne     0
            S    9   1.00
                  1.788000D+04           7.380000D-04
                  2.683000D+03           5.677000D-03
                  6.115000D+02           2.888300D-02
                  1.735000D+02           1.085400D-01
                  5.664000D+01           2.909070D-01
                  2.042000D+01           4.483240D-01
                  7.810000D+00           2.580260D-01
                  1.653000D+00           1.506300D-02
                  4.869000D-01          -2.100000D-03
            S    9   1.00
                  1.788000D+04          -1.720000D-04
                  2.683000D+03          -1.357000D-03
                  6.115000D+02          -6.737000D-03
                  1.735000D+02          -2.766300D-02
                  5.664000D+01          -7.620800D-02
                  2.042000D+01          -1.752270D-01
                  7.810000D+00          -1.070380D-01
                  1.653000D+00           5.670500D-01
                  4.869000D-01           5.652160D-01
            S    1   1.00
                  4.869000D-01           1.000000D+00
            S    1   1.00
                  0.1230000              1.0000000
            P    4   1.00
                  2.839000D+01           4.608700D-02
                  6.270000D+00           2.401810D-01
                  1.695000D+00           5.087440D-01
                  4.317000D-01           4.556600D-01
            P    1   1.00
                  4.317000D-01           1.000000D+00
            P    1   1.00
                  0.1064000              1.0000000
            D    1   1.00
                  2.202000D+00           1.0000000
            D    1   1.00
                  0.6310000              1.0000000
            ****
            -Na     0
            S    12   1.00
                  3.170000D+04           4.588780D-04
                  4.755000D+03           3.550700D-03
                  1.082000D+03           1.826180D-02
                  3.064000D+02           7.166500D-02
                  9.953000D+01           2.123460D-01
                  3.542000D+01           4.162030D-01
                  1.330000D+01           3.730200D-01
                  4.392000D+00           6.250540D-02
                  1.676000D+00          -6.245320D-03
                  5.889000D-01           2.433740D-03
                  5.640000D-02          -4.423810D-04
                  2.307000D-02           2.419240D-04
            S    12   1.00
                  3.170000D+04          -1.121620D-04
                  4.755000D+03          -8.685120D-04
                  1.082000D+03          -4.513300D-03
                  3.064000D+02          -1.814360D-02
                  9.953000D+01          -5.807990D-02
                  3.542000D+01          -1.376530D-01
                  1.330000D+01          -1.939080D-01
                  4.392000D+00           8.580090D-02
                  1.676000D+00           6.044190D-01
                  5.889000D-01           4.417190D-01
                  5.640000D-02           1.305470D-02
                  2.307000D-02          -5.680850D-03
            S    12   1.00
                  3.170000D+04           1.701600D-05
                  4.755000D+03           1.306930D-04
                  1.082000D+03           6.877840D-04
                  3.064000D+02           2.723590D-03
                  9.953000D+01           8.955290D-03
                  3.542000D+01           2.078320D-02
                  1.330000D+01           3.193800D-02
                  4.392000D+00          -1.913680D-02
                  1.676000D+00          -1.025950D-01
                  5.889000D-01          -1.989450D-01
                  5.640000D-02           6.559520D-01
                  2.307000D-02           4.311530D-01
            S    1   1.00
                  2.307000D-02           1.000000D+00
            S    1   1.00
                  7.200000D-03           1.000000D+00
            P    8   1.00
                  1.381000D+02           5.796410D-03
                  3.224000D+01           4.157560D-02
                  9.985000D+00           1.628730D-01
                  3.484000D+00           3.594010D-01
                  1.231000D+00           4.499880D-01
                  4.177000D-01           2.275070D-01
                  6.513000D-02           8.082470D-03
                  2.053000D-02          -1.962930D-03
            P    8   1.00
                  1.381000D+02          -5.815310D-04
                  3.224000D+01          -4.073060D-03
                  9.985000D+00          -1.679370D-02
                  3.484000D+00          -3.532680D-02
                  1.231000D+00          -5.219710D-02
                  4.177000D-01          -1.683590D-02
                  6.513000D-02           4.346130D-01
                  2.053000D-02           6.582180D-01
            P    1   1.00
                  2.053000D-02           1.000000D+00
            P    1   1.00
                  5.700000D-03           1.000000D+00
            D    1   1.00
                  9.280000D-02           1.0000000
            D    1   1.00
                  4.800000D-02           1.000000D+00
            ****
            -Mg     0
            S    12   1.00
                  4.739000D+04           3.460230D-04
                  7.108000D+03           2.680770D-03
                  1.618000D+03           1.383670D-02
                  4.584000D+02           5.517670D-02
                  1.493000D+02           1.696600D-01
                  5.359000D+01           3.647030D-01
                  2.070000D+01           4.068560D-01
                  8.384000D+00           1.350890D-01
                  2.542000D+00           4.908840D-03
                  8.787000D-01           2.864600D-04
                  1.077000D-01           2.645900D-05
                  3.999000D-02          -1.127080D-05
            S    12   1.00
                  4.739000D+04          -8.778390D-05
                  7.108000D+03          -6.747250D-04
                  1.618000D+03          -3.556030D-03
                  4.584000D+02          -1.421540D-02
                  1.493000D+02          -4.767480D-02
                  5.359000D+01          -1.148920D-01
                  2.070000D+01          -2.006760D-01
                  8.384000D+00          -3.412240D-02
                  2.542000D+00           5.704540D-01
                  8.787000D-01           5.423090D-01
                  1.077000D-01           2.181280D-02
                  3.999000D-02          -8.277000D-03
            S    12   1.00
                  4.739000D+04           1.696280D-05
                  7.108000D+03           1.298650D-04
                  1.618000D+03           6.888310D-04
                  4.584000D+02           2.735330D-03
                  1.493000D+02           9.312240D-03
                  5.359000D+01           2.232650D-02
                  2.070000D+01           4.111950D-02
                  8.384000D+00           5.456420D-03
                  2.542000D+00          -1.340120D-01
                  8.787000D-01          -2.561760D-01
                  1.077000D-01           6.058560D-01
                  3.999000D-02           5.094460D-01
            S    1   1.00
                  3.999000D-02           1.000000D+00
            S    1   1.00
                  1.420000D-02           1.000000D+00
            P    8   1.00
                  1.799000D+02           5.381610D-03
                  4.214000D+01           3.924180D-02
                  1.313000D+01           1.574450D-01
                  4.628000D+00           3.585350D-01
                  1.670000D+00           4.572260D-01
                  5.857000D-01           2.159180D-01
                  1.311000D-01           6.649480D-03
                  4.112000D-02          -1.253040D-04
            P    8   1.00
                  1.799000D+02          -8.659480D-04
                  4.214000D+01          -6.159780D-03
                  1.313000D+01          -2.615190D-02
                  4.628000D+00          -5.706470D-02
                  1.670000D+00          -8.739060D-02
                  5.857000D-01          -1.229900D-02
                  1.311000D-01           5.020850D-01
                  4.112000D-02           5.972450D-01
            P    1   1.00
                  4.112000D-02           1.000000D+00
            P    1   1.00
                  1.050000D-02           1.000000D+00
            D    1   1.00
                  1.932000D-01           1.0000000
            D    1   1.00
                  6.050000D-02           1.000000D+00
            ****
            -Al     0
            S    12   1.00
                  6.415000D+04           2.902500D-04
                  9.617000D+03           2.250640D-03
                  2.189000D+03           1.164590D-02
                  6.205000D+02           4.673770D-02
                  2.027000D+02           1.462990D-01
                  7.315000D+01           3.302830D-01
                  2.855000D+01           4.158610D-01
                  1.177000D+01           1.892530D-01
                  3.300000D+00           1.158890D-02
                  1.173000D+00          -1.283850D-03
                  1.752000D-01           4.258830D-04
                  6.473000D-02          -1.992800D-04
            S    12   1.00
                  6.415000D+04          -7.580480D-05
                  9.617000D+03          -5.817910D-04
                  2.189000D+03          -3.081130D-03
                  6.205000D+02          -1.231120D-02
                  2.027000D+02          -4.197810D-02
                  7.315000D+01          -1.033710D-01
                  2.855000D+01          -1.963080D-01
                  1.177000D+01          -8.300020D-02
                  3.300000D+00           5.410400D-01
                  1.173000D+00           5.787960D-01
                  1.752000D-01           2.881470D-02
                  6.473000D-02          -9.537950D-03
            S    12   1.00
                  6.415000D+04           1.750780D-05
                  9.617000D+03           1.342080D-04
                  2.189000D+03           7.124420D-04
                  6.205000D+02           2.843300D-03
                  2.027000D+02           9.768420D-03
                  7.315000D+01           2.418500D-02
                  2.855000D+01           4.749930D-02
                  1.177000D+01           2.036210D-02
                  3.300000D+00          -1.587880D-01
                  1.173000D+00          -3.116940D-01
                  1.752000D-01           6.201470D-01
                  6.473000D-02           5.209430D-01
            S    1   1.00
                  6.473000D-02           1.000000D+00
            S    1   1.00
                  0.0231000              1.0000000
            P    8   1.00
                  2.588000D+02           4.068470D-03
                  6.089000D+01           3.068150D-02
                  1.914000D+01           1.291490D-01
                  6.881000D+00           3.208310D-01
                  2.574000D+00           4.538150D-01
                  9.572000D-01           2.750660D-01
                  2.099000D-01           1.908070D-02
                  5.986000D-02          -3.128480D-03
            P    8   1.00
                  2.588000D+02          -7.480530D-04
                  6.089000D+01          -5.457960D-03
                  1.914000D+01          -2.453710D-02
                  6.881000D+00          -5.821380D-02
                  2.574000D+00          -9.837560D-02
                  9.572000D-01          -2.600640D-02
                  2.099000D-01           4.640200D-01
                  5.986000D-02           6.488700D-01
            P    1   1.00
                  5.986000D-02           1.000000D+00
            P    1   1.00
                  0.0153000              1.0000000
            D    1   1.00
                  1.890000D-01           1.0000000
            D    1   1.00
                  0.0535000              1.0000000
            ****
            -Si     0
            S    12   1.00
                  7.886000D+04           2.704430D-04
                  1.182000D+04           2.097170D-03
                  2.692000D+03           1.085060D-02
                  7.634000D+02           4.367540D-02
                  2.496000D+02           1.376530D-01
                  9.028000D+01           3.166440D-01
                  3.529000D+01           4.185810D-01
                  1.451000D+01           2.102120D-01
                  4.053000D+00           1.449520D-02
                  1.482000D+00          -2.035900D-03
                  2.517000D-01           6.241860D-04
                  9.243000D-02          -2.828720D-04
            S    12   1.00
                  7.886000D+04          -7.231770D-05
                  1.182000D+04          -5.551160D-04
                  2.692000D+03          -2.938050D-03
                  7.634000D+02          -1.176870D-02
                  2.496000D+02          -4.029070D-02
                  9.028000D+01          -1.006090D-01
                  3.529000D+01          -1.965280D-01
                  1.451000D+01          -1.023820D-01
                  4.053000D+00           5.271900D-01
                  1.482000D+00           5.932510D-01
                  2.517000D-01           3.326520D-02
                  9.243000D-02          -9.736620D-03
            S    12   1.00
                  7.886000D+04           1.851130D-05
                  1.182000D+04           1.422360D-04
                  2.692000D+03           7.521850D-04
                  7.634000D+02           3.022790D-03
                  2.496000D+02           1.036770D-02
                  9.028000D+01           2.625630D-02
                  3.529000D+01           5.239890D-02
                  1.451000D+01           2.909590D-02
                  4.053000D+00          -1.780030D-01
                  1.482000D+00          -3.468740D-01
                  2.517000D-01           6.230200D-01
                  9.243000D-02           5.377120D-01
            S    1   1.00
                  9.243000D-02           1.000000D+00
            S    1   1.00
                  0.0332000              1.0000000
            P    8   1.00
                  3.159000D+02           3.926560D-03
                  7.442000D+01           2.988110D-02
                  2.348000D+01           1.272120D-01
                  8.488000D+00           3.209430D-01
                  3.217000D+00           4.554290D-01
                  1.229000D+00           2.685630D-01
                  2.964000D-01           1.883360D-02
                  8.768000D-02          -2.624310D-03
            P    8   1.00
                  3.159000D+02          -8.583020D-04
                  7.442000D+01          -6.303280D-03
                  2.348000D+01          -2.882550D-02
                  8.488000D+00          -6.945600D-02
                  3.217000D+00          -1.194930D-01
                  1.229000D+00          -1.995810D-02
                  2.964000D-01           5.102680D-01
                  8.768000D-02           6.003820D-01
            P    1   1.00
                  8.768000D-02           1.000000D+00
            P    1   1.00
                  0.0250000              1.0000000
            D    1   1.00
                  2.750000D-01           1.0000000
            D    1   1.00
                  0.0823000              1.0000000
            ****
            -P     0
            S    12   1.00
                  9.484000D+04           2.555090D-04
                  1.422000D+04           1.981930D-03
                  3.236000D+03           1.027600D-02
                  9.171000D+02           4.148230D-02
                  2.995000D+02           1.319840D-01
                  1.081000D+02           3.086620D-01
                  4.218000D+01           4.206470D-01
                  1.728000D+01           2.228780D-01
                  4.858000D+00           1.640350D-02
                  1.818000D+00          -2.542550D-03
                  3.372000D-01           7.480500D-04
                  1.232000D-01          -3.309630D-04
            S    12   1.00
                  9.484000D+04          -6.969390D-05
                  1.422000D+04          -5.352660D-04
                  3.236000D+03          -2.837090D-03
                  9.171000D+02          -1.139830D-02
                  2.995000D+02          -3.929290D-02
                  1.081000D+02          -9.963640D-02
                  4.218000D+01          -1.979830D-01
                  1.728000D+01          -1.148600D-01
                  4.858000D+00           5.185950D-01
                  1.818000D+00           6.018470D-01
                  3.372000D-01           3.686120D-02
                  1.232000D-01          -9.707590D-03
            S    12   1.00
                  9.484000D+04           1.911990D-05
                  1.422000D+04           1.472230D-04
                  3.236000D+03           7.779120D-04
                  9.171000D+02           3.145460D-03
                  2.995000D+02           1.082000D-02
                  1.081000D+02           2.799570D-02
                  4.218000D+01           5.639780D-02
                  1.728000D+01           3.581900D-02
                  4.858000D+00          -1.933870D-01
                  1.818000D+00          -3.720970D-01
                  3.372000D-01           6.242460D-01
                  1.232000D-01           5.517210D-01
            S    1   1.00
                  1.232000D-01           1.000000D+00
            S    1   1.00
                  0.0417000              1.0000000
            P    8   1.00
                  3.705000D+02           3.950050D-03
                  8.733000D+01           3.024920D-02
                  2.759000D+01           1.295540D-01
                  1.000000D+01           3.275940D-01
                  3.825000D+00           4.569920D-01
                  1.494000D+00           2.530860D-01
                  3.921000D-01           1.687980D-02
                  1.186000D-01          -2.070930D-03
            P    8   1.00
                  3.705000D+02          -9.598320D-04
                  8.733000D+01          -7.111770D-03
                  2.759000D+01          -3.271220D-02
                  1.000000D+01          -7.957840D-02
                  3.825000D+00          -1.350160D-01
                  1.494000D+00          -9.105850D-03
                  3.921000D-01           5.378020D-01
                  1.186000D-01           5.690660D-01
            P    1   1.00
                  1.186000D-01           1.000000D+00
            P    1   1.00
                  0.0343000              1.0000000
            D    1   1.00
                  3.730000D-01           1.0000000
            D    1   1.00
                  0.1130000              1.0000000
            ****
            -S     0
            S    12   1.00
                  1.108000D+05           2.476350D-04
                  1.661000D+04           1.920260D-03
                  3.781000D+03           9.961920D-03
                  1.071000D+03           4.029750D-02
                  3.498000D+02           1.286040D-01
                  1.263000D+02           3.034800D-01
                  4.926000D+01           4.214320D-01
                  2.016000D+01           2.307810D-01
                  5.720000D+00           1.789710D-02
                  2.182000D+00          -2.975160D-03
                  4.327000D-01           8.495220D-04
                  1.570000D-01          -3.679360D-04
            S    12   1.00
                  1.108000D+05          -6.870390D-05
                  1.661000D+04          -5.276810D-04
                  3.781000D+03          -2.796710D-03
                  1.071000D+03          -1.126510D-02
                  3.498000D+02          -3.888340D-02
                  1.263000D+02          -9.950250D-02
                  4.926000D+01          -1.997400D-01
                  2.016000D+01          -1.233600D-01
                  5.720000D+00           5.131940D-01
                  2.182000D+00           6.071200D-01
                  4.327000D-01           3.967530D-02
                  1.570000D-01          -9.468640D-03
            S    12   1.00
                  1.108000D+05           1.990770D-05
                  1.661000D+04           1.534830D-04
                  3.781000D+03           8.095030D-04
                  1.071000D+03           3.289740D-03
                  3.498000D+02           1.129670D-02
                  1.263000D+02           2.963850D-02
                  4.926000D+01           5.998510D-02
                  2.016000D+01           4.132480D-02
                  5.720000D+00          -2.074740D-01
                  2.182000D+00          -3.928890D-01
                  4.327000D-01           6.328400D-01
                  1.570000D-01           5.569240D-01
            S    1   1.00
                  1.570000D-01           1.000000D+00
            S    1   1.00
                  0.0507000              1.0000000
            P    8   1.00
                  3.997000D+02           4.475410D-03
                  9.419000D+01           3.417080D-02
                  2.975000D+01           1.442500D-01
                  1.077000D+01           3.539280D-01
                  4.119000D+00           4.590850D-01
                  1.625000D+00           2.063830D-01
                  4.726000D-01           1.021410D-02
                  1.407000D-01          -6.031220D-05
            P    8   1.00
                  3.997000D+02          -1.162510D-03
                  9.419000D+01          -8.656640D-03
                  2.975000D+01          -3.908860D-02
                  1.077000D+01          -9.346250D-02
                  4.119000D+00          -1.479940D-01
                  1.625000D+00           3.019040D-02
                  4.726000D-01           5.615730D-01
                  1.407000D-01           5.347760D-01
            P    1   1.00
                  1.407000D-01           1.000000D+00
            P    1   1.00
                  0.0399000              1.0000000
            D    1   1.00
                  4.790000D-01           1.0000000
            D    1   1.00
                  0.1520000              1.0000000
            ****
            -Cl     0
            S    12   1.00
                  1.279000D+05           2.411530D-04
                  1.917000D+04           1.870950D-03
                  4.363000D+03           9.708270D-03
                  1.236000D+03           3.931530D-02
                  4.036000D+02           1.259320D-01
                  1.457000D+02           2.993410D-01
                  5.681000D+01           4.218860D-01
                  2.323000D+01           2.372010D-01
                  6.644000D+00           1.915310D-02
                  2.575000D+00          -3.347920D-03
                  5.371000D-01           9.298830D-04
                  1.938000D-01          -3.963790D-04
            S    12   1.00
                  1.279000D+05          -6.789220D-05
                  1.917000D+04          -5.218360D-04
                  4.363000D+03          -2.765130D-03
                  1.236000D+03          -1.115370D-02
                  4.036000D+02          -3.859190D-02
                  1.457000D+02          -9.948480D-02
                  5.681000D+01          -2.013920D-01
                  2.323000D+01          -1.303130D-01
                  6.644000D+00           5.094430D-01
                  2.575000D+00           6.107250D-01
                  5.371000D-01           4.215490D-02
                  1.938000D-01          -9.234270D-03
            S    12   1.00
                  1.279000D+05           2.049860D-05
                  1.917000D+04           1.582980D-04
                  4.363000D+03           8.336390D-04
                  1.236000D+03           3.398800D-03
                  4.036000D+02           1.167380D-02
                  1.457000D+02           3.096220D-02
                  5.681000D+01           6.295330D-02
                  2.323000D+01           4.602570D-02
                  6.644000D+00          -2.193120D-01
                  2.575000D+00          -4.087730D-01
                  5.371000D-01           6.384650D-01
                  1.938000D-01           5.623620D-01
            S    1   1.00
                  1.938000D-01           1.000000D+00
            S    1   1.00
                  0.0608000              1.0000000
            P    8   1.00
                  4.176000D+02           5.259820D-03
                  9.833000D+01           3.983320D-02
                  3.104000D+01           1.646550D-01
                  1.119000D+01           3.873220D-01
                  4.249000D+00           4.570720D-01
                  1.624000D+00           1.516360D-01
                  5.322000D-01           1.816150D-03
                  1.620000D-01           1.882960D-03
            P    8   1.00
                  4.176000D+02          -1.435700D-03
                  9.833000D+01          -1.077960D-02
                  3.104000D+01          -4.700750D-02
                  1.119000D+01          -1.110300D-01
                  4.249000D+00          -1.532750D-01
                  1.624000D+00           8.946090D-02
                  5.322000D-01           5.794440D-01
                  1.620000D-01           4.832720D-01
            P    1   1.00
                  1.620000D-01           1.000000D+00
            P    1   1.00
                  0.0466000              1.0000000
            D    1   1.00
                  6.000000D-01           1.0000000
            D    1   1.00
                  0.1960000              1.0000000
            ****
            -Ar     0
            S    12   1.00
                  1.457000D+05           2.367000D-04
                  2.184000D+04           1.835230D-03
                  4.972000D+03           9.528600D-03
                  1.408000D+03           3.862830D-02
                  4.597000D+02           1.240810D-01
                  1.659000D+02           2.964710D-01
                  6.469000D+01           4.220680D-01
                  2.644000D+01           2.417110D-01
                  7.628000D+00           2.005090D-02
                  2.996000D+00          -3.610000D-03
                  6.504000D-01           9.756070D-04
                  2.337000D-01          -4.113160D-04
            S    12   1.00
                  1.457000D+05          -6.749100D-05
                  2.184000D+04          -5.185220D-04
                  4.972000D+03          -2.748250D-03
                  1.408000D+03          -1.110070D-02
                  4.597000D+02          -3.848200D-02
                  1.659000D+02          -9.975990D-02
                  6.469000D+01          -2.030880D-01
                  2.644000D+01          -1.356080D-01
                  7.628000D+00           5.071950D-01
                  2.996000D+00           6.128980D-01
                  6.504000D-01           4.429680D-02
                  2.337000D-01          -8.992780D-03
            S    12   1.00
                  1.457000D+05           2.104570D-05
                  2.184000D+04           1.625650D-04
                  4.972000D+03           8.554630D-04
                  1.408000D+03           3.497450D-03
                  4.597000D+02           1.201560D-02
                  1.659000D+02           3.213680D-02
                  6.469000D+01           6.552790D-02
                  2.644000D+01           4.993700D-02
                  7.628000D+00          -2.297690D-01
                  2.996000D+00          -4.210060D-01
                  6.504000D-01           6.423310D-01
                  2.337000D-01           5.675400D-01
            S    1   1.00
                  2.337000D-01           1.000000D+00
            S    1   1.00
                  0.0709000              1.0000000
            P    8   1.00
                  4.537000D+02           5.705550D-03
                  1.068000D+02           4.304600D-02
                  3.373000D+01           1.765910D-01
                  1.213000D+01           4.068630D-01
                  4.594000D+00           4.525490D-01
                  1.678000D+00           1.228010D-01
                  5.909000D-01          -4.459960D-03
                  1.852000D-01           2.052250D-03
            P    8   1.00
                  4.537000D+02          -1.606550D-03
                  1.068000D+02          -1.217140D-02
                  3.373000D+01          -5.207890D-02
                  1.213000D+01          -1.237370D-01
                  4.594000D+00          -1.516190D-01
                  1.678000D+00           1.424250D-01
                  5.909000D-01           5.845010D-01
                  1.852000D-01           4.375400D-01
            P    1   1.00
                  1.852000D-01           1.000000D+00
            P    1   1.00
                  0.0533000              1.0000000
            D    1   1.00
                  7.380000D-01           1.0000000
            D    1   1.00
                  0.2400000              1.0000000
            ****
            -Sc     0
            S    20   1.00
                  2.715278D+06           8.147221D-06
                  4.065984D+05           6.334788D-05
                  9.253004D+04           3.330384D-04
                  2.620792D+04           1.404055D-03
                  8.549429D+03           5.081725D-03
                  3.085975D+03           1.626926D-02
                  1.203172D+03           4.624577D-02
                  4.984869D+02           1.137223D-01
                  2.167360D+02           2.257636D-01
                  9.787476D+01           3.106700D-01
                  4.520433D+01           2.191906D-01
                  2.021187D+01           7.215879D-02
                  9.574751D+00           1.187030D-01
                  4.540346D+00           1.220532D-01
                  1.995687D+00           2.136795D-02
                  9.422150D-01          -5.357246D-04
                  4.178450D-01           2.435774D-04
                  9.576100D-02          -8.796617D-05
                  5.135100D-02           7.878246D-05
                  2.387800D-02          -1.637155D-05
            S    20   1.00
                  2.715278D+06          -4.722109D-06
                  4.065984D+05          -3.671829D-05
                  9.253004D+04          -1.930883D-04
                  2.620792D+04          -8.146870D-04
                  8.549429D+03          -2.955526D-03
                  3.085975D+03          -9.520035D-03
                  1.203172D+03          -2.746858D-02
                  4.984869D+02          -6.991528D-02
                  2.167360D+02          -1.499251D-01
                  9.787476D+01          -2.459153D-01
                  4.520433D+01          -2.401293D-01
                  2.021187D+01           3.567987D-02
                  9.574751D+00           4.915023D-01
                  4.540346D+00           4.911381D-01
                  1.995687D+00           9.120633D-02
                  9.422150D-01          -5.356723D-03
                  4.178450D-01           8.812836D-04
                  9.576100D-02          -7.605536D-04
                  5.135100D-02           6.340116D-04
                  2.387800D-02          -1.556163D-04
            S    20   1.00
                  2.715278D+06           9.139905D-07
                  4.065984D+05           7.108513D-06
                  9.253004D+04           3.738126D-05
                  2.620792D+04           1.578828D-04
                  8.549429D+03           5.737686D-04
                  3.085975D+03           1.859244D-03
                  1.203172D+03           5.433182D-03
                  4.984869D+02           1.425387D-02
                  2.167360D+02           3.246144D-02
                  9.787476D+01           6.003454D-02
                  4.520433D+01           6.916105D-02
                  2.021187D+01          -2.113084D-02
                  9.574751D+00          -2.666832D-01
                  4.540346D+00          -4.367591D-01
                  1.995687D+00           6.498243D-02
                  9.422150D-01           7.009599D-01
                  4.178450D-01           4.515562D-01
                  9.576100D-02           3.011910D-02
                  5.135100D-02          -1.329480D-02
                  2.387800D-02           4.633679D-03
            S    20   1.00
                  2.715278D+06          -2.201951D-07
                  4.065984D+05          -1.711419D-06
                  9.253004D+04          -9.008469D-06
                  2.620792D+04          -3.799997D-05
                  8.549429D+03          -1.383227D-04
                  3.085975D+03          -4.473692D-04
                  1.203172D+03          -1.310691D-03
                  4.984869D+02          -3.429860D-03
                  2.167360D+02          -7.847579D-03
                  9.787476D+01          -1.447189D-02
                  4.520433D+01          -1.690669D-02
                  2.021187D+01           5.396115D-03
                  9.574751D+00           6.671062D-02
                  4.540346D+00           1.178356D-01
                  1.995687D+00          -2.738134D-02
                  9.422150D-01          -2.260149D-01
                  4.178450D-01          -3.073539D-01
                  9.576100D-02           2.544054D-01
                  5.135100D-02           5.981590D-01
                  2.387800D-02           3.115202D-01
            S    20   1.00
                  2.715278D+06          -3.757238D-07
                  4.065984D+05          -2.981907D-06
                  9.253004D+04          -1.522586D-05
                  2.620792D+04          -6.684686D-05
                  8.549429D+03          -2.313129D-04
                  3.085975D+03          -7.959729D-04
                  1.203172D+03          -2.161961D-03
                  4.984869D+02          -6.206459D-03
                  2.167360D+02          -1.261905D-02
                  9.787476D+01          -2.739459D-02
                  4.520433D+01          -2.336516D-02
                  2.021187D+01          -5.734627D-03
                  9.574751D+00           1.536025D-01
                  4.540346D+00           1.447100D-01
                  1.995687D+00           9.359699D-02
                  9.422150D-01          -8.687730D-01
                  4.178450D-01           2.114597D-02
                  9.576100D-02           2.275498D+00
                  5.135100D-02          -1.190770D+00
                  2.387800D-02          -7.674257D-01
            S    1   1.00
                  2.387800D-02           1.000000D+00
            S    1   1.00
                  1.110000D-02           1.000000D+00
            P    16   1.00
                  1.059219D+04           4.500000D-05
                  2.507533D+03           4.010000D-04
                  8.144571D+02           2.302000D-03
                  3.115195D+02           1.003700D-02
                  1.319617D+02           3.495400D-02
                  5.998718D+01           9.790900D-02
                  2.866250D+01           2.106800D-01
                  1.410851D+01           3.300930D-01
                  7.103706D+00           3.310270D-01
                  3.609200D+00           1.579600D-01
                  1.776070D+00           2.209900D-02
                  8.547600D-01          -1.605000D-03
                  4.022390D-01          -1.326000D-03
                  1.546650D-01          -2.800000D-04
                  6.494500D-02           3.400000D-05
                  2.635900D-02          -1.300000D-05
            P    16   1.00
                  1.059219D+04          -1.500000D-05
                  2.507533D+03          -1.310000D-04
                  8.144571D+02          -7.570000D-04
                  3.115195D+02          -3.318000D-03
                  1.319617D+02          -1.170600D-02
                  5.998718D+01          -3.360400D-02
                  2.866250D+01          -7.487900D-02
                  1.410851D+01          -1.225480D-01
                  7.103706D+00          -1.302760D-01
                  3.609200D+00           1.459600D-02
                  1.776070D+00           3.091840D-01
                  8.547600D-01           4.629980D-01
                  4.022390D-01           3.049570D-01
                  1.546650D-01           5.087800D-02
                  6.494500D-02          -4.493000D-03
                  2.635900D-02           1.832000D-03
            P    16   1.00
                  1.059219D+04          -4.000000D-06
                  2.507533D+03          -3.200000D-05
                  8.144571D+02          -1.850000D-04
                  3.115195D+02          -8.080000D-04
                  1.319617D+02          -2.870000D-03
                  5.998718D+01          -8.207000D-03
                  2.866250D+01          -1.847300D-02
                  1.410851D+01          -3.010100D-02
                  7.103706D+00          -3.294300D-02
                  3.609200D+00           7.958000D-03
                  1.776070D+00           8.799300D-02
                  8.547600D-01           1.523770D-01
                  4.022390D-01           9.717000D-02
                  1.546650D-01          -2.569380D-01
                  6.494500D-02          -5.878150D-01
                  2.635900D-02          -3.054210D-01
            P    16   1.00
                  1.059219D+04           4.000000D-06
                  2.507533D+03           3.900000D-05
                  8.144571D+02           2.210000D-04
                  3.115195D+02           9.840000D-04
                  1.319617D+02           3.423000D-03
                  5.998718D+01           9.993000D-03
                  2.866250D+01           2.191600D-02
                  1.410851D+01           3.700800D-02
                  7.103706D+00           3.779400D-02
                  3.609200D+00          -4.379000D-03
                  1.776070D+00          -1.101640D-01
                  8.547600D-01          -1.610170D-01
                  4.022390D-01          -1.824820D-01
                  1.546650D-01           3.886110D-01
                  6.494500D-02           6.911000D-01
                  2.635900D-02           7.960400D-02
            P    1   1.00
                  2.635900D-02           1.000000D+00
            P    1   1.00
                  1.066000D-02           1.000000D+00
            D    8   1.00
                  5.051380D+01           4.266000D-03
                  1.474050D+01           2.770800D-02
                  5.195000D+00           1.000010D-01
                  2.028460D+00           2.315810D-01
                  8.040860D-01           3.460330D-01
                  3.076890D-01           3.733740D-01
                  1.113920D-01           2.642880D-01
                  3.735200D-02           6.366700D-02
            D    8   1.00
                  5.051380D+01          -4.389000D-03
                  1.474050D+01          -2.836300D-02
                  5.195000D+00          -1.051370D-01
                  2.028460D+00          -2.348540D-01
                  8.040860D-01          -3.246090D-01
                  3.076890D-01          -6.428900D-02
                  1.113920D-01           6.017490D-01
                  3.735200D-02           3.903000D-01
            D    1   1.00
                  3.735200D-02           1.000000D+00
            D    1   1.00
                  1.244000D-02           1.000000D+00
            F    2   1.00
                  7.126000D-01           3.617450D-01
                  1.636000D-01           8.218680D-01
            F    1   1.00
                  4.063000D-02           1.000000D+00
            ****
            -Ti     0
            S    20   1.00
                  3.014643D+06           8.060782D-06
                  4.514329D+05           6.267518D-05
                  1.027338D+05           3.295006D-04
                  2.909817D+04           1.389203D-03
                  9.492330D+03           5.028469D-03
                  3.426346D+03           1.610419D-02
                  1.335896D+03           4.581232D-02
                  5.535026D+02           1.128613D-01
                  2.406925D+02           2.248193D-01
                  1.087293D+02           3.114571D-01
                  5.026457D+01           2.224995D-01
                  2.258004D+01           7.293128D-02
                  1.071432D+01           1.160683D-01
                  5.093546D+00           1.194774D-01
                  2.244183D+00           2.097868D-02
                  1.059570D+00          -5.091715D-04
                  4.688490D-01           2.217859D-04
                  1.061430D-01          -7.636896D-05
                  5.526200D-02           7.719539D-05
                  2.546500D-02          -1.149056D-05
            S    20   1.00
                  3.014643D+06          -4.630486D-06
                  4.514329D+05          -3.600451D-05
                  1.027338D+05          -1.893420D-04
                  2.909817D+04          -7.988781D-04
                  9.492330D+03          -2.898698D-03
                  3.426346D+03          -9.339701D-03
                  1.335896D+03          -2.697464D-02
                  5.535026D+02          -6.878913D-02
                  2.406925D+02          -1.481037D-01
                  1.087293D+02          -2.445253D-01
                  5.026457D+01          -2.419916D-01
                  2.258004D+01           3.183790D-02
                  1.071432D+01           4.932686D-01
                  5.093546D+00           4.939655D-01
                  2.244183D+00           9.196313D-02
                  1.059570D+00          -5.316992D-03
                  4.688490D-01           8.085624D-04
                  1.061430D-01          -6.918459D-04
                  5.526200D-02           6.086512D-04
                  2.546500D-02          -1.313842D-04
            S    20   1.00
                  3.014643D+06           9.230559D-07
                  4.514329D+05           7.178974D-06
                  1.027338D+05           3.775134D-05
                  2.909817D+04           1.594532D-04
                  9.492330D+03           5.795150D-04
                  3.426346D+03           1.878414D-03
                  1.335896D+03           5.492747D-03
                  5.535026D+02           1.443297D-02
                  2.406925D+02           3.296408D-02
                  1.087293D+02           6.125493D-02
                  5.026457D+01           7.134113D-02
                  2.258004D+01          -1.973150D-02
                  1.071432D+01          -2.741869D-01
                  5.093546D+00          -4.440977D-01
                  2.244183D+00           7.776084D-02
                  1.059570D+00           7.068444D-01
                  4.688490D-01           4.413892D-01
                  1.061430D-01           2.799769D-02
                  5.526200D-02          -1.210790D-02
                  2.546500D-02           4.324762D-03
            S    20   1.00
                  3.014643D+06          -2.180323D-07
                  4.514329D+05          -1.694860D-06
                  1.027338D+05          -8.919208D-06
                  2.909817D+04          -3.763633D-05
                  9.492330D+03          -1.369575D-04
                  3.426346D+03          -4.432894D-04
                  1.335896D+03          -1.298868D-03
                  5.535026D+02          -3.406752D-03
                  2.406925D+02          -7.810829D-03
                  1.087293D+02          -1.449245D-02
                  5.026457D+01          -1.708136D-02
                  2.258004D+01           4.897666D-03
                  1.071432D+01           6.753108D-02
                  5.093546D+00           1.173318D-01
                  2.244183D+00          -2.985025D-02
                  1.059570D+00          -2.277634D-01
                  4.688490D-01          -2.928115D-01
                  1.061430D-01           2.665300D-01
                  5.526200D-02           5.912406D-01
                  2.546500D-02           3.037229D-01
            S    20   1.00
                  3.014643D+06          -3.975126D-07
                  4.514329D+05          -3.161080D-06
                  1.027338D+05          -1.609375D-05
                  2.909817D+04          -7.092947D-05
                  9.492330D+03          -2.442710D-04
                  3.426346D+03          -8.457892D-04
                  1.335896D+03          -2.282208D-03
                  5.535026D+02          -6.619873D-03
                  2.406925D+02          -1.335024D-02
                  1.087293D+02          -2.955830D-02
                  5.026457D+01          -2.477039D-02
                  2.258004D+01          -8.414624D-03
                  1.071432D+01           1.693855D-01
                  5.093546D+00           1.500787D-01
                  2.244183D+00           9.787777D-02
                  1.059570D+00          -9.653608D-01
                  4.688490D-01           1.489721D-01
                  1.061430D-01           2.191179D+00
                  5.526200D-02          -1.243325D+00
                  2.546500D-02          -6.711916D-01
            S    1   1.00
                  2.546500D-02           1.000000D+00
            S    1   1.00
                  1.173000D-02           1.000000D+00
            P    16   1.00
                  1.191203D+04           4.400000D-05
                  2.819947D+03           3.910000D-04
                  9.159479D+02           2.248000D-03
                  3.503842D+02           9.823000D-03
                  1.484825D+02           3.433800D-02
                  6.753944D+01           9.666600D-02
                  3.230332D+01           2.094170D-01
                  1.592786D+01           3.301890D-01
                  8.038035D+00           3.319360D-01
                  4.093916D+00           1.584880D-01
                  2.022390D+00           2.231000D-02
                  9.761020D-01          -1.566000D-03
                  4.595950D-01          -1.324000D-03
                  1.771520D-01          -2.710000D-04
                  7.351700D-02           3.200000D-05
                  2.940100D-02          -1.200000D-05
            P    16   1.00
                  1.191203D+04          -1.500000D-05
                  2.819947D+03          -1.310000D-04
                  9.159479D+02          -7.550000D-04
                  3.503842D+02          -3.319000D-03
                  1.484825D+02          -1.175000D-02
                  6.753944D+01          -3.392200D-02
                  3.230332D+01          -7.616400D-02
                  1.592786D+01          -1.257020D-01
                  8.038035D+00          -1.330980D-01
                  4.093916D+00           1.740600D-02
                  2.022390D+00           3.151650D-01
                  9.761020D-01           4.618140D-01
                  4.595950D-01           2.998560D-01
                  1.771520D-01           5.000000D-02
                  7.351700D-02          -4.230000D-03
                  2.940100D-02           1.725000D-03
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.100000D-05
                  9.159479D+02           1.820000D-04
                  3.503842D+02           7.950000D-04
                  1.484825D+02           2.833000D-03
                  6.753944D+01           8.154000D-03
                  3.230332D+01           1.847200D-02
                  1.592786D+01           3.040000D-02
                  8.038035D+00           3.304700D-02
                  4.093916D+00          -8.251000D-03
                  2.022390D+00          -8.855400D-02
                  9.761020D-01          -1.496120D-01
                  4.595950D-01          -9.422700D-02
                  1.771520D-01           2.508460D-01
                  7.351700D-02           5.866430D-01
                  2.940100D-02           3.135350D-01
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.900000D-05
                  9.159479D+02           2.230000D-04
                  3.503842D+02           9.920000D-04
                  1.484825D+02           3.476000D-03
                  6.753944D+01           1.017200D-02
                  3.230332D+01           2.257600D-02
                  1.592786D+01           3.823800D-02
                  8.038035D+00           3.933700D-02
                  4.093916D+00          -6.106000D-03
                  2.022390D+00          -1.129620D-01
                  9.761020D-01          -1.681140D-01
                  4.595950D-01          -1.659320D-01
                  1.771520D-01           3.914030D-01
                  7.351700D-02           6.818400D-01
                  2.940100D-02           8.403100D-02
            P    1   1.00
                  2.940100D-02           1.000000D+00
            P    1   1.00
                  1.176000D-02           1.000000D+00
            D    8   1.00
                  6.401300D+01           3.887000D-03
                  1.881790D+01           2.639900D-02
                  6.728700D+00           9.751100D-02
                  2.664130D+00           2.328480D-01
                  1.078680D+00           3.531520D-01
                  4.232090D-01           3.721860D-01
                  1.559990D-01           2.476720D-01
                  5.188400D-02           5.823600D-02
            D    8   1.00
                  6.401300D+01          -3.970000D-03
                  1.881790D+01          -2.687300D-02
                  6.728700D+00          -1.022750D-01
                  2.664130D+00          -2.377280D-01
                  1.078680D+00          -3.121140D-01
                  4.232090D-01          -4.237800D-02
                  1.559990D-01           5.886580D-01
                  5.188400D-02           4.103020D-01
            D    1   1.00
                  5.188400D-02           1.000000D+00
            D    1   1.00
                  1.726000D-02           1.000000D+00
            F    2   1.00
                  1.227400D+00           3.581580D-01
                  2.788000D-01           8.257940D-01
            F    1   1.00
                  8.266000D-02           1.000000D+00
            ****
            -V     0
            S    20   1.00
                  3.321857D+06           8.039999D-06
                  4.974356D+05           6.251402D-05
                  1.132027D+05           3.286553D-04
                  3.206333D+04           1.385697D-03
                  1.045962D+04           5.016217D-03
                  3.775506D+03           1.606931D-02
                  1.472040D+03           4.574242D-02
                  6.099331D+02           1.128544D-01
                  2.652634D+02           2.254344D-01
                  1.198607D+02           3.140461D-01
                  5.544891D+01           2.267819D-01
                  2.498372D+01           7.334069D-02
                  1.188056D+01           1.102474D-01
                  5.660311D+00           1.131358D-01
                  2.495703D+00           1.971295D-02
                  1.177866D+00          -4.719088D-04
                  5.200440D-01           1.861606D-04
                  1.159650D-01          -6.208598D-05
                  5.893800D-02           7.295314D-05
                  2.694600D-02          -6.362062D-06
            S    20   1.00
                  3.321857D+06          -4.503003D-06
                  4.974356D+05          -3.501295D-05
                  1.132027D+05          -1.841339D-04
                  3.206333D+04          -7.769216D-04
                  1.045962D+04          -2.819505D-03
                  3.775506D+03          -9.087486D-03
                  1.472040D+03          -2.627134D-02
                  6.099331D+02          -6.712726D-02
                  2.652634D+02          -1.451130D-01
                  1.198607D+02          -2.412483D-01
                  5.544891D+01          -2.416314D-01
                  2.498372D+01           3.067362D-02
                  1.188056D+01           4.970415D-01
                  5.660311D+00           4.958875D-01
                  2.495703D+00           9.181868D-02
                  1.177866D+00          -5.392514D-03
                  5.200440D-01           7.102380D-04
                  1.159650D-01          -6.363128D-04
                  5.893800D-02           5.979932D-04
                  2.694600D-02          -1.100879D-04
            S    20   1.00
                  3.321857D+06           9.320648D-07
                  4.974356D+05           7.249306D-06
                  1.132027D+05           3.811967D-05
                  3.206333D+04           1.610238D-04
                  1.045962D+04           5.852210D-04
                  3.775506D+03           1.897502D-03
                  1.472040D+03           5.550909D-03
                  6.099331D+02           1.460584D-02
                  2.652634D+02           3.342974D-02
                  1.198607D+02           6.235722D-02
                  5.544891D+01           7.312435D-02
                  2.498372D+01          -1.911472D-02
                  1.188056D+01          -2.817249D-01
                  5.660311D+00          -4.488151D-01
                  2.495703D+00           9.202696D-02
                  1.177866D+00           7.110117D-01
                  5.200440D-01           4.309274D-01
                  1.159650D-01           2.604589D-02
                  5.893800D-02          -1.101049D-02
                  2.694600D-02           4.106300D-03
            S    20   1.00
                  3.321857D+06          -2.158944D-07
                  4.974356D+05          -1.678519D-06
                  1.132027D+05          -8.831213D-06
                  3.206333D+04          -3.727769D-05
                  1.045962D+04          -1.356099D-04
                  3.775506D+03          -4.392351D-04
                  1.472040D+03          -1.286948D-03
                  6.099331D+02          -3.382149D-03
                  2.652634D+02          -7.765646D-03
                  1.198607D+02          -1.447985D-02
                  5.544891D+01          -1.715502D-02
                  2.498372D+01           4.610101D-03
                  1.188056D+01           6.827831D-02
                  5.660311D+00           1.161368D-01
                  2.495703D+00          -3.277049D-02
                  1.177866D+00          -2.280000D-01
                  5.200440D-01          -2.793991D-01
                  1.159650D-01           2.771165D-01
                  5.893800D-02           5.852999D-01
                  2.694600D-02           2.963946D-01
            S    20   1.00
                  3.321857D+06          -4.093416D-07
                  4.974356D+05          -3.258956D-06
                  1.132027D+05          -1.656390D-05
                  3.206333D+04          -7.316689D-05
                  1.045962D+04          -2.512784D-04
                  3.775506D+03          -8.732657D-04
                  1.472040D+03          -2.347654D-03
                  6.099331D+02          -6.853150D-03
                  2.652634D+02          -1.376420D-02
                  1.198607D+02          -3.084679D-02
                  5.544891D+01          -2.562208D-02
                  2.498372D+01          -1.005123D-02
                  1.188056D+01           1.795330D-01
                  5.660311D+00           1.522400D-01
                  2.495703D+00           9.483887D-02
                  1.177866D+00          -1.014876D+00
                  5.200440D-01           2.308810D-01
                  1.159650D-01           2.113321D+00
                  5.893800D-02          -1.253048D+00
                  2.694600D-02          -6.139502D-01
            S    1   1.00
                  2.694600D-02           1.000000D+00
            S    1   1.00
                  1.232000D-02           1.000000D+00
            P    16   1.00
                  1.327320D+04           4.300000D-05
                  3.142126D+03           3.840000D-04
                  1.020588D+03           2.210000D-03
                  3.904407D+02           9.678000D-03
                  1.655043D+02           3.393600D-02
                  7.532006D+01           9.591700D-02
                  3.605503D+01           2.088530D-01
                  1.780436D+01           3.306600D-01
                  9.002929D+00           3.323120D-01
                  4.594544D+00           1.581880D-01
                  2.276760D+00           2.225200D-02
                  1.101178D+00          -1.565000D-03
                  5.186380D-01          -1.353000D-03
                  2.005650D-01          -2.650000D-04
                  8.129100D-02           2.900000D-05
                  3.179500D-02          -1.100000D-05
            P    16   1.00
                  1.327320D+04          -1.500000D-05
                  3.142126D+03          -1.310000D-04
                  1.020588D+03          -7.550000D-04
                  3.904407D+02          -3.325000D-03
                  1.655043D+02          -1.181100D-02
                  7.532006D+01          -3.425600D-02
                  3.605503D+01          -7.736300D-02
                  1.780436D+01          -1.284560D-01
                  9.002929D+00          -1.350780D-01
                  4.594544D+00           2.083800D-02
                  2.276760D+00           3.204990D-01
                  1.101178D+00           4.602600D-01
                  5.186380D-01           2.953460D-01
                  2.005650D-01           4.904600D-02
                  8.129100D-02          -3.824000D-03
                  3.179500D-02           1.585000D-03
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.200000D-05
                  1.020588D+03           1.830000D-04
                  3.904407D+02           8.020000D-04
                  1.655043D+02           2.862000D-03
                  7.532006D+01           8.287000D-03
                  3.605503D+01           1.887000D-02
                  1.780436D+01           3.130700D-02
                  9.002929D+00           3.366000D-02
                  4.594544D+00          -9.479000D-03
                  2.276760D+00          -9.231300D-02
                  1.101178D+00          -1.489890D-01
                  5.186380D-01          -8.364400D-02
                  2.005650D-01           2.493390D-01
                  8.129100D-02           5.805150D-01
                  3.179500D-02           3.223800D-01
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.900000D-05
                  1.020588D+03           2.230000D-04
                  3.904407D+02           9.960000D-04
                  1.655043D+02           3.498000D-03
                  7.532006D+01           1.029600D-02
                  3.605503D+01           2.296200D-02
                  1.780436D+01           3.920800D-02
                  9.002929D+00           3.994300D-02
                  4.594544D+00          -7.121000D-03
                  2.276760D+00          -1.162250D-01
                  1.101178D+00          -1.694960D-01
                  5.186380D-01          -1.553740D-01
                  2.005650D-01           3.950220D-01
                  8.129100D-02           6.789080D-01
                  3.179500D-02           8.312200D-02
            P    1   1.00
                  3.179500D-02           1.000000D+00
            P    1   1.00
                  1.244000D-02           1.000000D+00
            D    8   1.00
                  7.761150D+01           3.595000D-03
                  2.291590D+01           2.521000D-02
                  8.279540D+00           9.478600D-02
                  3.309930D+00           2.303630D-01
                  1.358630D+00           3.528940D-01
                  5.413500D-01           3.704140D-01
                  2.023560D-01           2.457180D-01
                  6.756800D-02           6.099300D-02
            D    8   1.00
                  7.761150D+01          -3.818000D-03
                  2.291590D+01          -2.671700D-02
                  8.279540D+00          -1.036900D-01
                  3.309930D+00          -2.476890D-01
                  1.358630D+00          -3.115230D-01
                  5.413500D-01          -2.282700D-02
                  2.023560D-01           5.697260D-01
                  6.756800D-02           4.194930D-01
            D    1   1.00
                  6.756800D-02           1.000000D+00
            D    1   1.00
                  2.256000D-02           1.000000D+00
            F    2   1.00
                  1.748800D+00           3.900680D-01
                  4.057000D-01           8.008410D-01
            F    1   1.00
                  1.311200D-01           1.000000D+00
            ****
            -Cr     0
            S    20   1.00
                  6.177194D+06           4.128667D-06
                  9.249295D+05           3.210767D-05
                  2.104865D+05           1.688416D-04
                  5.962005D+04           7.128520D-04
                  1.945076D+04           2.589325D-03
                  7.022056D+03           8.377350D-03
                  2.738763D+03           2.441725D-02
                  1.135814D+03           6.365135D-02
                  4.950923D+02           1.427618D-01
                  2.247487D+02           2.541275D-01
                  1.053836D+02           3.009512D-01
                  5.019359D+01           1.766513D-01
                  2.224957D+01           6.936709D-02
                  1.098265D+01           1.179579D-01
                  5.383665D+00           8.916187D-02
                  2.343685D+00           1.103630D-02
                  1.105202D+00          -3.546048D-04
                  4.878480D-01           1.057311D-04
                  8.959900D-02           1.114640D-05
                  3.342300D-02           2.661387D-05
            S    20   1.00
                  6.177194D+06          -2.301772D-06
                  9.249295D+05          -1.789536D-05
                  2.104865D+05          -9.416174D-05
                  5.962005D+04          -3.975074D-04
                  1.945076D+04          -1.447025D-03
                  7.022056D+03          -4.694622D-03
                  2.738763D+03          -1.382387D-02
                  1.135814D+03          -3.674643D-02
                  4.950923D+02          -8.647185D-02
                  2.247487D+02          -1.696735D-01
                  1.053836D+02          -2.507089D-01
                  5.019359D+01          -1.961156D-01
                  2.224957D+01           1.457244D-01
                  1.098265D+01           5.466706D-01
                  5.383665D+00           3.979434D-01
                  2.343685D+00           5.277007D-02
                  1.105202D+00          -4.374537D-03
                  4.878480D-01           3.204035D-04
                  8.959900D-02          -5.142077D-05
                  3.342300D-02           1.584134D-04
            S    20   1.00
                  6.177194D+06           4.862957D-07
                  9.249295D+05           3.776645D-06
                  2.104865D+05           1.990664D-05
                  5.962005D+04           8.389164D-05
                  1.945076D+04           3.065706D-04
                  7.022056D+03           9.944107D-04
                  2.738763D+03           2.961959D-03
                  1.135814D+03           7.969473D-03
                  4.950923D+02           1.955017D-02
                  2.247487D+02           4.085035D-02
                  1.053836D+02           6.929003D-02
                  5.019359D+01           6.146984D-02
                  2.224957D+01          -6.981302D-02
                  1.098265D+01          -3.517597D-01
                  5.383665D+00          -3.828629D-01
                  2.343685D+00           2.676401D-01
                  1.105202D+00           7.175950D-01
                  4.878480D-01           3.020814D-01
                  8.959900D-02           7.749514D-03
                  3.342300D-02           2.696096D-04
            S    20   1.00
                  6.177194D+06          -1.102451D-07
                  9.249295D+05          -8.530233D-07
                  2.104865D+05          -4.520358D-06
                  5.962005D+04          -1.891612D-05
                  1.945076D+04          -6.974344D-05
                  7.022056D+03          -2.237867D-04
                  2.738763D+03          -6.754503D-04
                  1.135814D+03          -1.789346D-03
                  4.950923D+02          -4.477858D-03
                  2.247487D+02          -9.140144D-03
                  1.053836D+02          -1.610562D-02
                  5.019359D+01          -1.334870D-02
                  2.224957D+01           1.426027D-02
                  1.098265D+01           8.931690D-02
                  5.383665D+00           8.885279D-02
                  2.343685D+00          -6.368776D-02
                  1.105202D+00          -2.783262D-01
                  4.878480D-01          -1.830071D-01
                  8.959900D-02           6.790937D-01
                  3.342300D-02           4.672953D-01
            S    20   1.00
                  6.177194D+06           2.179893D-07
                  9.249295D+05           1.612940D-06
                  2.104865D+05           9.111842D-06
                  5.962005D+04           3.500645D-05
                  1.945076D+04           1.435315D-04
                  7.022056D+03           4.035896D-04
                  2.738763D+03           1.425177D-03
                  1.135814D+03           3.114009D-03
                  4.950923D+02           9.814449D-03
                  2.247487D+02           1.474698D-02
                  1.053836D+02           3.911512D-02
                  5.019359D+01           9.170888D-03
                  2.224957D+01           1.559878D-02
                  1.098265D+01          -2.816844D-01
                  5.383665D+00          -6.895261D-03
                  2.343685D+00          -1.769781D-01
                  1.105202D+00           1.443061D+00
                  4.878480D-01          -1.029318D+00
                  8.959900D-02          -1.307667D+00
                  3.342300D-02           1.503842D+00
            S    1   1.00
                  3.342300D-02           1.000000D+00
            S    1   1.00
                  1.247000D-02           1.000000D+00
            P    16   1.00
                  1.445420D+04           4.400000D-05
                  3.421676D+03           3.890000D-04
                  1.111387D+03           2.241000D-03
                  4.251918D+02           9.821000D-03
                  1.802623D+02           3.447100D-02
                  8.206117D+01           9.746000D-02
                  3.929726D+01           2.119850D-01
                  1.941959D+01           3.339900D-01
                  9.828899D+00           3.301370D-01
                  5.016810D+00           1.522270D-01
                  2.487091D+00           2.042500D-02
                  1.198780D+00          -1.360000D-03
                  5.586950D-01          -1.195000D-03
                  2.089240D-01          -1.970000D-04
                  8.460800D-02           2.300000D-05
                  3.325800D-02          -9.000000D-06
            P    16   1.00
                  1.445420D+04          -1.500000D-05
                  3.421676D+03          -1.350000D-04
                  1.111387D+03          -7.770000D-04
                  4.251918D+02          -3.427000D-03
                  1.802623D+02          -1.218900D-02
                  8.206117D+01          -3.538800D-02
                  3.929726D+01          -7.991500D-02
                  1.941959D+01          -1.323350D-01
                  9.828899D+00          -1.354010D-01
                  5.016810D+00           3.200800D-02
                  2.487091D+00           3.338490D-01
                  1.198780D+00           4.617730D-01
                  5.586950D-01           2.812900D-01
                  2.089240D-01           4.184300D-02
                  8.460800D-02          -4.002000D-03
                  3.325800D-02           1.521000D-03
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           3.200000D-05
                  1.111387D+03           1.850000D-04
                  4.251918D+02           8.100000D-04
                  1.802623D+02           2.906000D-03
                  8.206117D+01           8.391000D-03
                  3.929726D+01           1.919300D-02
                  1.941959D+01           3.156400D-02
                  9.828899D+00           3.341700D-02
                  5.016810D+00          -1.290700D-02
                  2.487091D+00          -9.365900D-02
                  1.198780D+00          -1.499770D-01
                  5.586950D-01          -6.723400D-02
                  2.089240D-01           2.707590D-01
                  8.460800D-02           5.758070D-01
                  3.325800D-02           3.011210D-01
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           4.000000D-05
                  1.111387D+03           2.290000D-04
                  4.251918D+02           1.019000D-03
                  1.802623D+02           3.602000D-03
                  8.206117D+01           1.055000D-02
                  3.929726D+01           2.370200D-02
                  1.941959D+01           3.998800D-02
                  9.828899D+00           4.043700D-02
                  5.016810D+00          -1.207400D-02
                  2.487091D+00          -1.189390D-01
                  1.198780D+00          -1.781000D-01
                  5.586950D-01          -1.238650D-01
                  2.089240D-01           4.297220D-01
                  8.460800D-02           6.507860D-01
                  3.325800D-02           6.417100D-02
            P    1   1.00
                  3.325800D-02           1.000000D+00
            P    1   1.00
                  1.307000D-02           1.000000D+00
            D    8   1.00
                  8.857680D+01           3.621000D-03
                  2.620450D+01           2.576600D-02
                  9.517470D+00           9.755600D-02
                  3.822480D+00           2.363120D-01
                  1.575120D+00           3.582860D-01
                  6.289280D-01           3.685430D-01
                  2.344240D-01           2.354940D-01
                  7.681500D-02           5.315600D-02
            D    8   1.00
                  8.857680D+01          -4.122000D-03
                  2.620450D+01          -2.930700D-02
                  9.517470D+00          -1.150620D-01
                  3.822480D+00          -2.730680D-01
                  1.575120D+00          -3.144230D-01
                  6.289280D-01           4.209700D-02
                  2.344240D-01           5.914030D-01
                  7.681500D-02           3.582150D-01
            D    1   1.00
                  7.681500D-02           1.000000D+00
            D    1   1.00
                  2.517000D-02           1.000000D+00
            F    2   1.00
                  2.221100D+00           4.235450D-01
                  5.231000D-01           7.741140D-01
            F    1   1.00
                  1.763600D-01           1.000000D+00
            ****
            -Mn     0
            S    20   1.00
                  3.960805D+06           8.242127D-06
                  5.931155D+05           6.408587D-05
                  1.349768D+05           3.369253D-04
                  3.823067D+04           1.420648D-03
                  1.247154D+04           5.143683D-03
                  4.501743D+03           1.648569D-02
                  1.755212D+03           4.698560D-02
                  7.273039D+02           1.162437D-01
                  3.163678D+02           2.335277D-01
                  1.430098D+02           3.292837D-01
                  6.621805D+01           2.440304D-01
                  2.991896D+01           7.219806D-02
                  1.430318D+01           7.687806D-02
                  6.839451D+00           7.852235D-02
                  3.012374D+00           1.294109D-02
                  1.418808D+00          -3.784873D-04
                  6.236240D-01          -2.503203D-05
                  1.340980D-01          -2.421517D-05
                  6.554800D-02           3.462071D-05
                  2.958400D-02           4.261482D-07
            S    20   1.00
                  3.960805D+06          -3.936095D-06
                  5.931155D+05          -3.060481D-05
                  1.349768D+05          -1.609626D-04
                  3.823067D+04          -6.792348D-04
                  1.247154D+04          -2.466182D-03
                  4.501743D+03          -7.957629D-03
                  1.755212D+03          -2.307248D-02
                  7.273039D+02          -5.932956D-02
                  3.163678D+02          -1.299451D-01
                  1.430098D+02          -2.212352D-01
                  6.621805D+01          -2.292550D-01
                  2.991896D+01           3.580733D-02
                  1.430318D+01           5.107602D-01
                  6.839451D+00           5.008307D-01
                  3.012374D+00           9.011830D-02
                  1.418808D+00          -6.909909D-03
                  6.236240D-01          -1.912925D-04
                  1.340980D-01          -6.032312D-04
                  6.554800D-02           5.621608D-04
                  2.958400D-02          -1.021109D-04
            S    20   1.00
                  3.960805D+06           9.462709D-07
                  5.931155D+05           7.360584D-06
                  1.349768D+05           3.869935D-05
                  3.823067D+04           1.635110D-04
                  1.247154D+04           5.941775D-04
                  4.501743D+03           1.927737D-03
                  1.755212D+03           5.641731D-03
                  7.273039D+02           1.487848D-02
                  3.163678D+02           3.414783D-02
                  1.430098D+02           6.405794D-02
                  6.621805D+01           7.557659D-02
                  2.991896D+01          -1.946070D-02
                  1.430318D+01          -2.957874D-01
                  6.839451D+00          -4.521170D-01
                  3.012374D+00           1.224531D-01
                  1.418808D+00           7.169756D-01
                  6.236240D-01           4.092712D-01
                  1.340980D-01           2.221969D-02
                  6.554800D-02          -9.011202D-03
                  2.958400D-02           3.691727D-03
            S    20   1.00
                  3.960805D+06          -2.095391D-07
                  5.931155D+05          -1.629439D-06
                  1.349768D+05          -8.570592D-06
                  3.823067D+04          -3.619272D-05
                  1.247154D+04          -1.316146D-04
                  4.501743D+03          -4.266810D-04
                  1.755212D+03          -1.250270D-03
                  7.273039D+02          -3.294665D-03
                  3.163678D+02          -7.581860D-03
                  1.430098D+02          -1.422864D-02
                  6.621805D+01          -1.693796D-02
                  2.991896D+01           4.454298D-03
                  1.430318D+01           6.867042D-02
                  6.839451D+00           1.113335D-01
                  3.012374D+00          -3.900820D-02
                  1.418808D+00          -2.215755D-01
                  6.236240D-01          -2.544359D-01
                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
                  2.958400D-02           2.898778D-01
            S    20   1.00
                  3.960805D+06          -4.121231D-07
                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
                  3.823067D+04          -7.369999D-05
                  1.247154D+04          -2.529495D-04
                  4.501743D+03          -8.801425D-04
                  1.755212D+03          -2.365482D-03
                  7.273039D+02          -6.926354D-03
                  3.163678D+02          -1.393851D-02
                  1.430098D+02          -3.143840D-02
                  6.621805D+01          -2.625749D-02
                  2.991896D+01          -1.048313D-02
                  1.430318D+01           1.856472D-01
                  6.839451D+00           1.524839D-01
                  3.012374D+00           7.411368D-02
                  1.418808D+00          -1.018097D+00
                  6.236240D-01           2.980372D-01
                  1.340980D-01           1.971989D+00
                  6.554800D-02          -1.179253D+00
                  2.958400D-02          -5.837703D-01
            S    1   1.00
                  2.958400D-02           1.000000D+00
            S    1   1.00
                  1.335000D-02           1.000000D+00
            P    16   1.00
                  1.620586D+04           4.200000D-05
                  3.836274D+03           3.730000D-04
                  1.246048D+03           2.149000D-03
                  4.767535D+02           9.445000D-03
                  2.021895D+02           3.329700D-02
                  9.209487D+01           9.475900D-02
                  4.414720D+01           2.081440D-01
                  2.185468D+01           3.318050D-01
                  1.108596D+01           3.331750D-01
                  5.674108D+00           1.576010D-01
                  2.823170D+00           2.144500D-02
                  1.368621D+00          -2.558000D-03
                  6.444310D-01          -2.027000D-03
                  2.483820D-01          -3.600000D-04
                  9.725500D-02           3.400000D-05
                  3.663300D-02          -1.300000D-05
            P    16   1.00
                  1.620586D+04          -1.500000D-05
                  3.836274D+03          -1.290000D-04
                  1.246048D+03          -7.480000D-04
                  4.767535D+02          -3.308000D-03
                  2.021895D+02          -1.181100D-02
                  9.209487D+01          -3.453300D-02
                  4.414720D+01          -7.878500D-02
                  2.185468D+01          -1.321830D-01
                  1.108596D+01          -1.371950D-01
                  5.674108D+00           2.707500D-02
                  2.823170D+00           3.288910D-01
                  1.368621D+00           4.572800D-01
                  6.444310D-01           2.889080D-01
                  2.483820D-01           4.743300D-02
                  9.725500D-02          -3.522000D-03
                  3.663300D-02           1.456000D-03
            P    16   1.00
                  1.620586D+04           3.000000D-06
                  3.836274D+03           3.000000D-05
                  1.246048D+03           1.720000D-04
                  4.767535D+02           7.620000D-04
                  2.021895D+02           2.726000D-03
                  9.209487D+01           7.976000D-03
                  4.414720D+01           1.828700D-02
                  2.185468D+01           3.077600D-02
                  1.108596D+01           3.237300D-02
                  5.674108D+00          -9.978000D-03
                  2.823170D+00          -9.052900D-02
                  1.368621D+00          -1.380040D-01
                  6.444310D-01          -7.796500D-02
                  2.483820D-01           2.295600D-01
                  9.725500D-02           5.761220D-01
                  3.663300D-02           3.485380D-01
            P    16   1.00
                  1.620586D+04           4.000000D-06
                  3.836274D+03           4.000000D-05
                  1.246048D+03           2.260000D-04
                  4.767535D+02           1.013000D-03
                  2.021895D+02           3.575000D-03
                  9.209487D+01           1.061200D-02
                  4.414720D+01           2.390200D-02
                  2.185468D+01           4.127900D-02
                  1.108596D+01           4.147500D-02
                  5.674108D+00          -9.458000D-03
                  2.823170D+00          -1.236950D-01
                  1.368621D+00          -1.743920D-01
                  6.444310D-01          -1.291700D-01
                  2.483820D-01           4.003480D-01
                  9.725500D-02           6.696460D-01
                  3.663300D-02           8.273200D-02
            P    1   1.00
                  3.663300D-02           1.000000D+00
            P    1   1.00
                  1.380000D-02           1.000000D+00
            D    8   1.00
                  1.006630D+02           3.579000D-03
                  2.983360D+01           2.582700D-02
                  1.088940D+01           9.855900D-02
                  4.393580D+00           2.383270D-01
                  1.817820D+00           3.587070D-01
                  7.278270D-01           3.650920D-01
                  2.712950D-01           2.337380D-01
                  8.830900D-02           5.661800D-02
            D    8   1.00
                  1.006630D+02          -3.454000D-03
                  2.983360D+01          -2.492500D-02
                  1.088940D+01          -9.763500D-02
                  4.393580D+00          -2.366920D-01
                  1.817820D+00          -2.923500D-01
                  7.278270D-01          -4.973000D-03
                  2.712950D-01           5.065880D-01
                  8.830900D-02           4.979510D-01
            D    1   1.00
                  8.830900D-02           1.000000D+00
            D    1   1.00
                  2.875000D-02           1.000000D+00
            F    2   1.00
                  2.703200D+00           4.267760D-01
                  6.438000D-01           7.697990D-01
            F    1   1.00
                  2.226000D-01           1.000000D+00
            ****
            -Fe     0
            S    20   1.00
                  4.316265D+06           8.048803D-06
                  6.463424D+05           6.258306D-05
                  1.470897D+05           3.290239D-04
                  4.166152D+04           1.387355D-03
                  1.359077D+04           5.023256D-03
                  4.905750D+03           1.610140D-02
                  1.912746D+03           4.590034D-02
                  7.926043D+02           1.136154D-01
                  3.448065D+02           2.283869D-01
                  1.558999D+02           3.221159D-01
                  7.223091D+01           2.383661D-01
                  3.272506D+01           7.404667D-02
                  1.566762D+01           9.214197D-02
                  7.503483D+00           9.339790D-02
                  3.312223D+00           1.573965D-02
                  1.558471D+00          -4.186682D-04
                  6.839140D-01           5.376318D-05
                  1.467570D-01          -3.816654D-05
                  7.058300D-02           4.319603D-05
                  3.144900D-02          -3.401019D-06
            S    20   1.00
                  4.316265D+06          -4.155954D-06
                  6.463424D+05          -3.231401D-05
                  1.470897D+05          -1.699525D-04
                  4.166152D+04          -7.171369D-04
                  1.359077D+04          -2.603625D-03
                  4.905750D+03          -8.399109D-03
                  1.912746D+03          -2.434109D-02
                  7.926043D+02          -6.251948D-02
                  3.448065D+02          -1.365929D-01
                  1.558999D+02          -2.312707D-01
                  7.223091D+01          -2.383734D-01
                  3.272506D+01           3.123837D-02
                  1.566762D+01           5.086818D-01
                  7.503483D+00           4.987695D-01
                  3.312223D+00           9.033552D-02
                  1.558471D+00          -6.005337D-03
                  6.839140D-01           2.312454D-04
                  1.467570D-01          -5.643680D-04
                  7.058300D-02           4.992260D-04
                  3.144900D-02          -1.015293D-04
            S    20   1.00
                  4.316265D+06           9.532178D-07
                  6.463424D+05           7.414605D-06
                  1.470897D+05           3.898393D-05
                  4.166152D+04           1.647152D-04
                  1.359077D+04           5.985980D-04
                  4.905750D+03           1.942390D-03
                  1.912746D+03           5.687237D-03
                  7.926043D+02           1.501329D-02
                  3.448065D+02           3.452455D-02
                  1.558999D+02           6.495820D-02
                  7.223091D+01           7.716194D-02
                  3.272506D+01          -1.873411D-02
                  1.566762D+01          -3.009185D-01
                  7.503483D+00          -4.554661D-01
                  3.312223D+00           1.286463D-01
                  1.558471D+00           7.183316D-01
                  6.839140D-01           4.051743D-01
                  1.467570D-01           2.168227D-02
                  7.058300D-02          -8.343566D-03
                  3.144900D-02           3.658979D-03
            S    20   1.00
                  4.316265D+06          -2.063008D-07
                  6.463424D+05          -1.604169D-06
                  1.470897D+05          -8.438437D-06
                  4.166152D+04          -3.563151D-05
                  1.359077D+04          -1.295998D-04
                  4.905750D+03          -4.201534D-04
                  1.912746D+03          -1.231954D-03
                  7.926043D+02          -3.248922D-03
                  3.448065D+02          -7.493717D-03
                  1.558999D+02          -1.410102D-02
                  7.223091D+01          -1.691600D-02
                  3.272506D+01           4.218996D-03
                  1.566762D+01           6.833810D-02
                  7.503483D+00           1.098201D-01
                  3.312223D+00          -4.009005D-02
                  1.558471D+00          -2.174739D-01
                  6.839140D-01          -2.465135D-01
                  1.467570D-01           2.731435D-01
                  7.058300D-02           5.748321D-01
                  3.144900D-02           3.012713D-01
            S    20   1.00
                  4.316265D+06          -4.009367D-07
                  6.463424D+05          -3.189255D-06
                  1.470897D+05          -1.623079D-05
                  4.166152D+04          -7.157920D-05
                  1.359077D+04          -2.463958D-04
                  4.905750D+03          -8.544907D-04
                  1.912746D+03          -2.307593D-03
                  7.926043D+02          -6.728292D-03
                  3.448065D+02          -1.366165D-02
                  1.558999D+02          -3.062240D-02
                  7.223091D+01          -2.631137D-02
                  3.272506D+01          -9.760183D-03
                  1.566762D+01           1.801906D-01
                  7.503483D+00           1.529634D-01
                  3.312223D+00           5.505413D-02
                  1.558471D+00          -9.551364D-01
                  6.839140D-01           2.586813D-01
                  1.467570D-01           1.834049D+00
                  7.058300D-02          -9.333240D-01
                  3.144900D-02          -6.981605D-01
            S    1   1.00
                  3.144900D-02           1.000000D+00
            S    1   1.00
                  1.401000D-02           1.000000D+00
            P    16   1.00
                  1.774569D+04           4.100000D-05
                  4.200721D+03           3.690000D-04
                  1.364429D+03           2.129000D-03
                  5.220806D+02           9.369000D-03
                  2.214595D+02           3.309700D-02
                  1.009096D+02           9.443100D-02
                  4.840115D+01           2.080770D-01
                  2.398536D+01           3.323330D-01
                  1.218250D+01           3.329870D-01
                  6.242298D+00           1.568430D-01
                  3.110944D+00           2.154900D-02
                  1.509958D+00          -2.095000D-03
                  7.108450D-01          -1.739000D-03
                  2.731900D-01          -3.000000D-04
                  1.042330D-01           2.900000D-05
                  3.829100D-02          -1.100000D-05
            P    16   1.00
                  1.774569D+04          -1.500000D-05
                  4.200721D+03          -1.300000D-04
                  1.364429D+03          -7.510000D-04
                  5.220806D+02          -3.329000D-03
                  2.214595D+02          -1.191200D-02
                  1.009096D+02          -3.493300D-02
                  4.840115D+01          -7.998900D-02
                  2.398536D+01          -1.346360D-01
                  1.218250D+01          -1.385980D-01
                  6.242298D+00           3.027800D-02
                  3.110944D+00           3.332160D-01
                  1.509958D+00           4.561530D-01
                  7.108450D-01           2.850510D-01
                  2.731900D-01           4.614400D-02
                  1.042330D-01          -3.249000D-03
                  3.829100D-02           1.357000D-03
            P    16   1.00
                  1.774569D+04           3.000000D-06
                  4.200721D+03           2.900000D-05
                  1.364429D+03           1.650000D-04
                  5.220806D+02           7.340000D-04
                  2.214595D+02           2.626000D-03
                  1.009096D+02           7.725000D-03
                  4.840115D+01           1.773300D-02
                  2.398536D+01           3.005500D-02
                  1.218250D+01           3.109400D-02
                  6.242298D+00          -1.004800D-02
                  3.110944D+00          -8.830600D-02
                  1.509958D+00          -1.298240D-01
                  7.108450D-01          -7.693700D-02
                  2.731900D-01           2.126610D-01
                  1.042330D-01           5.730610D-01
                  3.829100D-02           3.696510D-01
            P    16   1.00
                  1.774569D+04           5.000000D-06
                  4.200721D+03           4.200000D-05
                  1.364429D+03           2.410000D-04
                  5.220806D+02           1.085000D-03
                  2.214595D+02           3.831000D-03
                  1.009096D+02           1.142300D-02
                  4.840115D+01           2.579200D-02
                  2.398536D+01           4.481800D-02
                  1.218250D+01           4.459800D-02
                  6.242298D+00          -1.117700D-02
                  3.110944D+00          -1.381340D-01
                  1.509958D+00          -1.882850D-01
                  7.108450D-01          -1.073990D-01
                  2.731900D-01           4.448630D-01
                  1.042330D-01           6.402390D-01
                  3.829100D-02           6.445700D-02
            P    1   1.00
                  3.829100D-02           1.000000D+00
            P    1   1.00
                  1.407000D-02           1.000000D+00
            D    8   1.00
                  1.133440D+02           3.530000D-03
                  3.364140D+01           2.578400D-02
                  1.233100D+01           9.911900D-02
                  4.994780D+00           2.390730D-01
                  2.072800D+00           3.571990D-01
                  8.307530D-01           3.621880D-01
                  3.091780D-01           2.364610D-01
                  1.001300D-01           6.011800D-02
            D    8   1.00
                  1.133440D+02          -3.890000D-03
                  3.364140D+01          -2.844200D-02
                  1.233100D+01          -1.124290D-01
                  4.994780D+00          -2.742570D-01
                  2.072800D+00          -3.155460D-01
                  8.307530D-01           5.710900D-02
                  3.091780D-01           5.636040D-01
                  1.001300D-01           3.846370D-01
            D    1   1.00
                  1.001300D-01           1.000000D+00
            D    1   1.00
                  3.243000D-02           1.000000D+00
            F    2   1.00
                  3.224300D+00           4.222490D-01
                  7.758000D-01           7.714680D-01
            F    1   1.00
                  2.749000D-01           1.000000D+00
            ****
            -Co     0
            S    20   1.00
                  4.675675D+06           7.979026D-06
                  7.001615D+05           6.204071D-05
                  1.593373D+05           3.261735D-04
                  4.513046D+04           1.375360D-03
                  1.472238D+04           4.979997D-03
                  5.314222D+03           1.596434D-02
                  2.072018D+03           4.552086D-02
                  8.586188D+02           1.127385D-01
                  3.735497D+02           2.268262D-01
                  1.689229D+02           3.203074D-01
                  7.829639D+01           2.374021D-01
                  3.552123D+01           7.477686D-02
                  1.704144D+01           9.581872D-02
                  8.173000D+00           9.649911D-02
                  3.610318D+00           1.623362D-02
                  1.697047D+00          -4.535497D-04
                  7.435320D-01           5.113519D-05
                  1.583440D-01          -4.174508D-05
                  7.503600D-02           4.027577D-05
                  3.309100D-02          -5.789067D-06
            S    20   1.00
                  4.675675D+06          -4.200240D-06
                  7.001615D+05          -3.265831D-05
                  1.593373D+05          -1.717644D-04
                  4.513046D+04          -7.247853D-04
                  1.472238D+04          -2.631462D-03
                  5.314222D+03          -8.489272D-03
                  2.072018D+03          -2.460619D-02
                  8.586188D+02          -6.322059D-02
                  3.735497D+02          -1.381957D-01
                  1.689229D+02          -2.340680D-01
                  7.829639D+01          -2.415002D-01
                  3.552123D+01           3.035312D-02
                  1.704144D+01           5.101341D-01
                  8.173000D+00           4.974939D-01
                  3.610318D+00           8.970746D-02
                  1.697047D+00          -5.941034D-03
                  7.435320D-01           2.175362D-04
                  1.583440D-01          -5.480155D-04
                  7.503600D-02           4.525804D-04
                  3.309100D-02          -1.066748D-04
            S    20   1.00
                  4.675675D+06           9.592692D-07
                  7.001615D+05           7.461851D-06
                  1.593373D+05           3.923137D-05
                  4.513046D+04           1.657706D-04
                  1.472238D+04           6.024335D-04
                  5.314222D+03           1.955217D-03
                  2.072018D+03           5.726326D-03
                  8.586188D+02           1.512984D-02
                  3.735497D+02           3.483973D-02
                  1.689229D+02           6.570351D-02
                  7.829639D+01           7.831503D-02
                  3.552123D+01          -1.877037D-02
                  1.704144D+01          -3.062663D-01
                  8.173000D+00          -4.566429D-01
                  3.610318D+00           1.378169D-01
                  1.697047D+00           7.193676D-01
                  7.435320D-01           3.992579D-01
                  1.583440D-01           2.079933D-02
                  7.503600D-02          -7.820663D-03
                  3.309100D-02           3.533911D-03
            S    20   1.00
                  4.675675D+06          -2.028840D-07
                  7.001615D+05          -1.577580D-06
                  1.593373D+05          -8.298813D-06
                  4.513046D+04          -3.504154D-05
                  1.472238D+04          -1.274655D-04
                  5.314222D+03          -4.132695D-04
                  2.072018D+03          -1.212261D-03
                  8.586188D+02          -3.199318D-03
                  3.735497D+02          -7.390972D-03
                  1.689229D+02          -1.393649D-02
                  7.829639D+01          -1.678575D-02
                  3.552123D+01           4.149856D-03
                  1.704144D+01           6.797646D-02
                  8.173000D+00           1.075807D-01
                  3.610318D+00          -4.166022D-02
                  1.697047D+00          -2.128044D-01
                  7.435320D-01          -2.381360D-01
                  1.583440D-01           2.650788D-01
                  7.503600D-02           5.722774D-01
                  3.309100D-02           3.091556D-01
            S    20   1.00
                  4.675675D+06          -3.863053D-07
                  7.001615D+05          -3.068788D-06
                  1.593373D+05          -1.564826D-05
                  4.513046D+04          -6.883588D-05
                  1.472238D+04          -2.377367D-04
                  5.314222D+03          -8.213173D-04
                  2.072018D+03          -2.229630D-03
                  8.586188D+02          -6.467841D-03
                  3.735497D+02          -1.325463D-02
                  1.689229D+02          -2.946686D-02
                  7.829639D+01          -2.599066D-02
                  3.552123D+01          -8.499807D-03
                  1.704144D+01           1.727316D-01
                  8.173000D+00           1.512189D-01
                  3.610318D+00           3.554509D-02
                  1.697047D+00          -8.829353D-01
                  7.435320D-01           2.143530D-01
                  1.583440D-01           1.711865D+00
                  7.503600D-02          -7.140037D-01
                  3.309100D-02          -8.027727D-01
            S    1   1.00
                  3.309100D-02           1.000000D+00
            S    1   1.00
                  1.459000D-02           1.000000D+00
            P    16   1.00
                  1.926778D+04           4.100000D-05
                  4.560986D+03           3.690000D-04
                  1.481436D+03           2.128000D-03
                  5.668671D+02           9.372000D-03
                  2.404910D+02           3.315500D-02
                  1.096105D+02           9.475200D-02
                  5.259491D+01           2.090930D-01
                  2.608361D+01           3.337220D-01
                  1.326143D+01           3.322080D-01
                  6.799778D+00           1.546130D-01
                  3.393414D+00           2.090200D-02
                  1.648766D+00          -2.024000D-03
                  7.762820D-01          -1.697000D-03
                  2.980030D-01          -2.800000D-04
                  1.136180D-01           2.600000D-05
                  4.162400D-02          -1.000000D-05
            P    16   1.00
                  1.926778D+04          -1.500000D-05
                  4.560986D+03          -1.310000D-04
                  1.481436D+03          -7.580000D-04
                  5.668671D+02          -3.363000D-03
                  2.404910D+02          -1.205400D-02
                  1.096105D+02          -3.542400D-02
                  5.259491D+01          -8.128700D-02
                  2.608361D+01          -1.369080D-01
                  1.326143D+01          -1.390190D-01
                  6.799778D+00           3.546800D-02
                  3.393414D+00           3.384980D-01
                  1.648766D+00           4.544330D-01
                  7.762820D-01           2.797930D-01
                  2.980030D-01           4.477600D-02
                  1.136180D-01          -3.151000D-03
                  4.162400D-02           1.317000D-03
            P    16   1.00
                  1.926778D+04          -3.000000D-06
                  4.560986D+03          -2.900000D-05
                  1.481436D+03          -1.670000D-04
                  5.668671D+02          -7.420000D-04
                  2.404910D+02          -2.662000D-03
                  1.096105D+02          -7.841000D-03
                  5.259491D+01          -1.805100D-02
                  2.608361D+01          -3.058000D-02
                  1.326143D+01          -3.131200D-02
                  6.799778D+00           1.131100D-02
                  3.393414D+00           8.999000D-02
                  1.648766D+00           1.307330D-01
                  7.762820D-01           7.180800D-02
                  2.980030D-01          -2.216580D-01
                  1.136180D-01          -5.710250D-01
                  4.162400D-02          -3.637890D-01
            P    16   1.00
                  1.926778D+04           5.000000D-06
                  4.560986D+03           4.500000D-05
                  1.481436D+03           2.550000D-04
                  5.668671D+02           1.144000D-03
                  2.404910D+02           4.061000D-03
                  1.096105D+02           1.209500D-02
                  5.259491D+01           2.747600D-02
                  2.608361D+01           4.755700D-02
                  1.326143D+01           4.730200D-02
                  6.799778D+00          -1.441800D-02
                  3.393414D+00          -1.500620D-01
                  1.648766D+00          -1.990920D-01
                  7.762820D-01          -7.978300D-02
                  2.980030D-01           4.590350D-01
                  1.136180D-01           6.174950D-01
                  4.162400D-02           6.469000D-02
            P    1   1.00
                  4.162400D-02           1.000000D+00
            P    1   1.00
                  1.525000D-02           1.000000D+00
            D    8   1.00
                  1.262640D+02           3.510000D-03
                  3.752260D+01           2.588400D-02
                  1.380210D+01           1.000580D-01
                  5.609270D+00           2.405470D-01
                  2.333690D+00           3.568430D-01
                  9.364150D-01           3.595790D-01
                  3.482370D-01           2.366290D-01
                  1.123530D-01           6.212900D-02
            D    8   1.00
                  1.262640D+02          -4.067000D-03
                  3.752260D+01          -3.005300D-02
                  1.380210D+01          -1.196200D-01
                  5.609270D+00          -2.915130D-01
                  2.333690D+00          -3.180480D-01
                  9.364150D-01           9.169800D-02
                  3.482370D-01           5.608230D-01
                  1.123530D-01           3.586780D-01
            D    1   1.00
                  1.123530D-01           1.000000D+00
            D    1   1.00
                  3.625000D-02           1.000000D+00
            F    2   1.00
                  3.772400D+00           4.239660D-01
                  9.170000D-01           7.684290D-01
            F    1   1.00
                  3.271500D-01           1.000000D+00
            ****
            -Ni     0
            S    20   1.00
                  5.045991D+06           8.208996D-06
                  7.556142D+05           6.382884D-05
                  1.719568D+05           3.355800D-04
                  4.870479D+04           1.415075D-03
                  1.588841D+04           5.124444D-03
                  5.735123D+03           1.643256D-02
                  2.236137D+03           4.689398D-02
                  9.266468D+02           1.163534D-01
                  4.031743D+02           2.350511D-01
                  1.823476D+02           3.350184D-01
                  8.454885D+01           2.534779D-01
                  3.839634D+01           7.300901D-02
                  1.845859D+01           6.184244D-02
                  8.863548D+00           6.302956D-02
                  3.916227D+00           1.008063D-02
                  1.838870D+00          -2.244528D-04
                  8.043620D-01          -5.932767D-05
                  1.697970D-01          -1.158562D-05
                  7.930600D-02           8.115109D-06
                  3.467700D-02          -1.681699D-06
            S    20   1.00
                  5.045991D+06          -3.657849D-06
                  7.556142D+05          -2.844094D-05
                  1.719568D+05          -1.495928D-04
                  4.870479D+04          -6.313009D-04
                  1.588841D+04          -2.293052D-03
                  5.735123D+03          -7.405123D-03
                  2.236137D+03          -2.152032D-02
                  9.266468D+02          -5.560974D-02
                  4.031743D+02          -1.230176D-01
                  1.823476D+02          -2.130104D-01
                  8.454885D+01          -2.265837D-01
                  3.839634D+01           3.546796D-02
                  1.845859D+01           5.181697D-01
                  8.863548D+00           5.025630D-01
                  3.916227D+00           8.955674D-02
                  1.838870D+00          -7.031311D-03
                  8.043620D-01          -4.339167D-04
                  1.697970D-01          -5.831711D-04
                  7.930600D-02           4.228788D-04
                  3.467700D-02          -1.266714D-04
            S    20   1.00
                  5.045991D+06           9.594149D-07
                  7.556142D+05           7.462614D-06
                  1.719568D+05           3.923843D-05
                  4.870479D+04           1.657868D-04
                  1.588841D+04           6.025905D-04
                  5.735123D+03           1.955662D-03
                  2.236137D+03           5.730391D-03
                  9.266468D+02           1.514756D-02
                  4.031743D+02           3.493499D-02
                  1.823476D+02           6.598072D-02
                  8.454885D+01           7.893083D-02
                  3.839634D+01          -1.906249D-02
                  1.845859D+01          -3.095921D-01
                  8.863548D+00          -4.558610D-01
                  3.916227D+00           1.482931D-01
                  1.838870D+00           7.134039D-01
                  8.043620D-01           3.976063D-01
                  1.697970D-01           2.295523D-02
                  7.930600D-02          -9.151758D-03
                  3.467700D-02           3.875414D-03
            S    20   1.00
                  5.045991D+06          -2.013753D-07
                  7.556142D+05          -1.565832D-06
                  1.719568D+05          -8.237182D-06
                  4.870479D+04          -3.478105D-05
                  1.588841D+04          -1.265265D-04
                  5.735123D+03          -4.102589D-04
                  2.236137D+03          -1.203834D-03
                  9.266468D+02          -3.179062D-03
                  4.031743D+02          -7.353828D-03
                  1.823476D+02          -1.389022D-02
                  8.454885D+01          -1.677875D-02
                  3.839634D+01           4.163378D-03
                  1.845859D+01           6.814703D-02
                  8.863548D+00           1.061029D-01
                  3.916227D+00          -4.339980D-02
                  1.838870D+00          -2.094950D-01
                  8.043620D-01          -2.310271D-01
                  1.697970D-01           2.590532D-01
                  7.930600D-02           5.691426D-01
                  3.467700D-02           3.158125D-01
            S    20   1.00
                  5.045991D+06          -3.924245D-07
                  7.556142D+05          -3.113909D-06
                  1.719568D+05          -1.590447D-05
                  4.870479D+04          -6.981394D-05
                  1.588841D+04          -2.417848D-04
                  5.735123D+03          -8.326195D-04
                  2.236137D+03          -2.270294D-03
                  9.266468D+02          -6.557427D-03
                  4.031743D+02          -1.354288D-02
                  1.823476D+02          -2.989768D-02
                  8.454885D+01          -2.693106D-02
                  3.839634D+01          -7.827693D-03
                  1.845859D+01           1.741667D-01
                  8.863548D+00           1.595468D-01
                  3.916227D+00           1.995550D-02
                  1.838870D+00          -8.897000D-01
                  8.043620D-01           2.486892D-01
                  1.697970D-01           1.613012D+00
                  7.930600D-02          -5.990277D-01
                  3.467700D-02          -8.369078D-01
            S    1   1.00
                  3.467700D-02           1.000000D+00
            S    1   1.00
                  1.516000D-02           1.000000D+00
            P    16   1.00
                  2.102792D+04           4.100000D-05
                  4.977560D+03           3.630000D-04
                  1.616740D+03           2.097000D-03
                  6.186718D+02           9.250000D-03
                  2.625183D+02           3.279600D-02
                  1.196907D+02           9.400400D-02
                  5.746585D+01           2.082800D-01
                  2.852829D+01           3.336540D-01
                  1.452148D+01           3.329040D-01
                  7.453850D+00           1.553720D-01
                  3.723553D+00           2.085900D-02
                  1.809813D+00          -2.440000D-03
                  8.513360D-01          -1.998000D-03
                  3.248140D-01          -3.380000D-04
                  1.195220D-01           3.500000D-05
                  4.236600D-02          -1.200000D-05
            P    16   1.00
                  2.102792D+04          -1.500000D-05
                  4.977560D+03          -1.290000D-04
                  1.616740D+03          -7.490000D-04
                  6.186718D+02          -3.328000D-03
                  2.625183D+02          -1.194700D-02
                  1.196907D+02          -3.524200D-02
                  5.746585D+01          -8.120400D-02
                  2.852829D+01          -1.374930D-01
                  1.452148D+01          -1.392260D-01
                  7.453850D+00           3.601600D-02
                  3.723553D+00           3.391280D-01
                  1.809813D+00           4.504720D-01
                  8.513360D-01           2.817830D-01
                  3.248140D-01           4.789800D-02
                  1.195220D-01          -2.987000D-03
                  4.236600D-02           1.309000D-03
            P    16   1.00
                  2.102792D+04           3.000000D-06
                  4.977560D+03           2.600000D-05
                  1.616740D+03           1.520000D-04
                  6.186718D+02           6.780000D-04
                  2.625183D+02           2.427000D-03
                  1.196907D+02           7.201000D-03
                  5.746585D+01           1.657800D-02
                  2.852829D+01           2.839200D-02
                  1.452148D+01           2.859900D-02
                  7.453850D+00          -1.013200D-02
                  3.723553D+00          -8.291200D-02
                  1.809813D+00          -1.159980D-01
                  8.513360D-01          -7.279500D-02
                  3.248140D-01           1.956400D-01
                  1.195220D-01           5.670990D-01
                  4.236600D-02           3.952700D-01
            P    16   1.00
                  2.102792D+04           6.000000D-06
                  4.977560D+03           5.300000D-05
                  1.616740D+03           3.050000D-04
                  6.186718D+02           1.364000D-03
                  2.625183D+02           4.876000D-03
                  1.196907D+02           1.450300D-02
                  5.746585D+01           3.329600D-02
                  2.852829D+01           5.748200D-02
                  1.452148D+01           5.870200D-02
                  7.453850D+00          -1.990400D-02
                  3.723553D+00          -1.946950D-01
                  1.809813D+00          -2.396130D-01
                  8.513360D-01          -2.232000D-03
                  3.248140D-01           5.214350D-01
                  1.195220D-01           5.455400D-01
                  4.236600D-02           4.362200D-02
            P    1   1.00
                  4.236600D-02           1.000000D+00
            P    1   1.00
                  1.502000D-02           1.000000D+00
            D    8   1.00
                  1.402527D+02           3.376000D-03
                  4.172610D+01           2.514100D-02
                  1.539810D+01           9.774600D-02
                  6.277100D+00           2.347090D-01
                  2.618500D+00           3.469450D-01
                  1.052600D+00           3.510680D-01
                  3.916000D-01           2.502550D-01
                  1.262000D-01           1.000820D-01
            D    8   1.00
                  1.402527D+02          -3.495000D-03
                  4.172610D+01          -2.601500D-02
                  1.539810D+01          -1.038760D-01
                  6.277100D+00          -2.520700D-01
                  2.618500D+00          -2.945800D-01
                  1.052600D+00           1.152000D-03
                  3.916000D-01           4.385890D-01
                  1.262000D-01           5.436260D-01
            D    1   1.00
                  1.262000D-01           1.000000D+00
            D    1   1.00
                  4.067000D-02           1.000000D+00
            F    2   1.00
                  4.345500D+00           4.174290D-01
                  1.068000D+00           7.714830D-01
            F    1   1.00
                  4.083000D-01           1.000000D+00
            ****
            -Cu     0
            S    20   1.00
                  5.430321D+06           7.801026D-06
                  8.131665D+05           6.065666D-05
                  1.850544D+05           3.188964D-04
                  5.241466D+04           1.344687D-03
                  1.709868D+04           4.869050D-03
                  6.171994D+03           1.561013D-02
                  2.406481D+03           4.452077D-02
                  9.972584D+02           1.103111D-01
                  4.339289D+02           2.220342D-01
                  1.962869D+02           3.133739D-01
                  9.104280D+01           2.315121D-01
                  4.138425D+01           7.640920D-02
                  1.993278D+01           1.103818D-01
                  9.581891D+00           1.094372D-01
                  4.234516D+00           1.836311D-02
                  1.985814D+00          -6.043084D-04
                  8.670830D-01           5.092245D-05
                  1.813390D-01          -5.540730D-05
                  8.365700D-02           3.969482D-05
                  3.626700D-02          -1.269538D-05
            S    20   1.00
                  5.430321D+06          -4.404706D-06
                  8.131665D+05          -3.424801D-05
                  1.850544D+05          -1.801238D-04
                  5.241466D+04          -7.600455D-04
                  1.709868D+04          -2.759348D-03
                  6.171994D+03          -8.900970D-03
                  2.406481D+03          -2.579378D-02
                  9.972584D+02          -6.623861D-02
                  4.339289D+02          -1.445927D-01
                  1.962869D+02          -2.440110D-01
                  9.104280D+01          -2.504837D-01
                  4.138425D+01           2.852577D-02
                  1.993278D+01           5.115874D-01
                  9.581891D+00           4.928061D-01
                  4.234516D+00           8.788437D-02
                  1.985814D+00          -5.820281D-03
                  8.670830D-01           2.013508D-04
                  1.813390D-01          -5.182553D-04
                  8.365700D-02           3.731503D-04
                  3.626700D-02          -1.193171D-04
            S    20   1.00
                  5.430321D+06           9.704682D-07
                  8.131665D+05           7.549245D-06
                  1.850544D+05           3.968892D-05
                  5.241466D+04           1.677200D-04
                  1.709868D+04           6.095101D-04
                  6.171994D+03           1.978846D-03
                  2.406481D+03           5.798049D-03
                  9.972584D+02           1.534158D-02
                  4.339289D+02           3.540484D-02
                  1.962869D+02           6.702098D-02
                  9.104280D+01           8.026945D-02
                  4.138425D+01          -1.927231D-02
                  1.993278D+01          -3.160129D-01
                  9.581891D+00          -4.573162D-01
                  4.234516D+00           1.550841D-01
                  1.985814D+00           7.202872D-01
                  8.670830D-01           3.885122D-01
                  1.813390D-01           1.924326D-02
                  8.365700D-02          -7.103807D-03
                  3.626700D-02           3.272906D-03
            S    20   1.00
                  5.430321D+06          -1.959354D-07
                  8.131665D+05          -1.523472D-06
                  1.850544D+05          -8.014808D-06
                  5.241466D+04          -3.383992D-05
                  1.709868D+04          -1.231191D-04
                  6.171994D+03          -3.992085D-04
                  2.406481D+03          -1.171900D-03
                  9.972584D+02          -3.096141D-03
                  4.339289D+02          -7.171993D-03
                  1.962869D+02          -1.356621D-02
                  9.104280D+01          -1.643989D-02
                  4.138425D+01           4.107628D-03
                  1.993278D+01           6.693964D-02
                  9.581891D+00           1.028221D-01
                  4.234516D+00          -4.422945D-02
                  1.985814D+00          -2.031191D-01
                  8.670830D-01          -2.230022D-01
                  1.813390D-01           2.517975D-01
                  8.365700D-02           5.650091D-01
                  3.626700D-02           3.247243D-01
            S    20   1.00
                  5.430321D+06          -3.532229D-07
                  8.131665D+05          -2.798812D-06
                  1.850544D+05          -1.432517D-05
                  5.241466D+04          -6.270946D-05
                  1.709868D+04          -2.179490D-04
                  6.171994D+03          -7.474316D-04
                  2.406481D+03          -2.049271D-03
                  9.972584D+02          -5.885203D-03
                  4.339289D+02          -1.226885D-02
                  1.962869D+02          -2.683147D-02
                  9.104280D+01          -2.479261D-02
                  4.138425D+01          -5.984746D-03
                  1.993278D+01           1.557124D-01
                  9.581891D+00           1.436683D-01
                  4.234516D+00           8.374103D-03
                  1.985814D+00          -7.460711D-01
                  8.670830D-01           1.244367D-01
                  1.813390D-01           1.510110D+00
                  8.365700D-02          -3.477122D-01
                  3.626700D-02          -9.774169D-01
            S    1   1.00
                  3.626700D-02           1.000000D+00
            S    1   1.00
                  1.572000D-02           1.000000D+00
            P    16   1.00
                  2.276057D+04           4.000000D-05
                  5.387679D+03           3.610000D-04
                  1.749945D+03           2.083000D-03
                  6.696653D+02           9.197000D-03
                  2.841948D+02           3.266000D-02
                  1.296077D+02           9.379500D-02
                  6.225415D+01           2.082740D-01
                  3.092964D+01           3.339930D-01
                  1.575827D+01           3.324930D-01
                  8.094211D+00           1.547280D-01
                  4.046921D+00           2.127100D-02
                  1.967869D+00          -1.690000D-03
                  9.252950D-01          -1.516000D-03
                  3.529920D-01          -2.420000D-04
                  1.273070D-01           2.300000D-05
                  4.435600D-02          -9.000000D-06
            P    16   1.00
                  2.276057D+04          -1.500000D-05
                  5.387679D+03          -1.310000D-04
                  1.749945D+03          -7.550000D-04
                  6.696653D+02          -3.359000D-03
                  2.841948D+02          -1.208100D-02
                  1.296077D+02          -3.570300D-02
                  6.225415D+01          -8.250200D-02
                  3.092964D+01          -1.398900D-01
                  1.575827D+01          -1.407290D-01
                  8.094211D+00           3.876600D-02
                  4.046921D+00           3.426950D-01
                  1.967869D+00           4.523100D-01
                  9.252950D-01           2.770540D-01
                  3.529920D-01           4.388500D-02
                  1.273070D-01          -2.802000D-03
                  4.435600D-02           1.152000D-03
            P    16   1.00
                  2.276057D+04           3.000000D-06
                  5.387679D+03           2.500000D-05
                  1.749945D+03           1.470000D-04
                  6.696653D+02           6.560000D-04
                  2.841948D+02           2.351000D-03
                  1.296077D+02           7.004000D-03
                  6.225415D+01           1.613100D-02
                  3.092964D+01           2.777000D-02
                  1.575827D+01           2.756700D-02
                  8.094211D+00          -1.011500D-02
                  4.046921D+00          -8.100900D-02
                  1.967869D+00          -1.104090D-01
                  9.252950D-01          -7.173200D-02
                  3.529920D-01           1.879300D-01
                  1.273070D-01           5.646290D-01
                  4.435600D-02           4.070000D-01
            P    16   1.00
                  2.276057D+04           5.000000D-06
                  5.387679D+03           4.900000D-05
                  1.749945D+03           2.780000D-04
                  6.696653D+02           1.253000D-03
                  2.841948D+02           4.447000D-03
                  1.296077D+02           1.337000D-02
                  6.225415D+01           3.046900D-02
                  3.092964D+01           5.344700D-02
                  1.575827D+01           5.263900D-02
                  8.094211D+00          -1.688100D-02
                  4.046921D+00          -1.794480D-01
                  1.967869D+00          -2.095880D-01
                  9.252950D-01          -3.963300D-02
                  3.529920D-01           5.021300D-01
                  1.273070D-01           5.811110D-01
                  4.435600D-02           4.566600D-02
            P    1   1.00
                  4.435600D-02           1.000000D+00
            P    1   1.00
                  1.545000D-02           1.000000D+00
            D    8   1.00
                  1.738970D+02           2.700000D-03
                  5.188690D+01           2.090900D-02
                  1.934190D+01           8.440800D-02
                  7.975720D+00           2.139990D-01
                  3.398230D+00           3.359800D-01
                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
                  1.901990D-01           1.039720D-01
            D    8   1.00
                  1.738970D+02          -3.363000D-03
                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
                  7.975720D+00          -2.822170D-01
                  3.398230D+00          -3.471900D-01
                  1.409320D+00           2.671100D-02
                  5.488580D-01           4.920470D-01
                  1.901990D-01           4.384220D-01
            D    1   1.00
                  1.901990D-01           1.000000D+00
            D    1   1.00
                  6.591000D-02           1.000000D+00
            F    2   1.00
                  5.028600D+00           4.242800D-01
                  1.259400D+00           7.630250D-01
            F    1   1.00
                  4.617200D-01           1.000000D+00
            ****
            -Zn     0
            S    20   1.00
                  5.820021D+06           8.549241D-06
                  8.715234D+05           6.647410D-05
                  1.983350D+05           3.494962D-04
                  5.617631D+04           1.473832D-03
                  1.832582D+04           5.338330D-03
                  6.614955D+03           1.712708D-02
                  2.579199D+03           4.894085D-02
                  1.068849D+03           1.217934D-01
                  4.651045D+02           2.476589D-01
                  2.104130D+02           3.582431D-01
                  9.761629D+01           2.798174D-01
                  4.438020D+01           6.857491D-02
                  2.142308D+01          -1.311092D-03
                  1.030891D+01           1.914001D-03
                  4.553645D+00          -8.759220D-04
                  2.132821D+00           3.740096D-04
                  9.296970D-01          -1.401399D-04
                  1.921470D-01           4.757132D-05
                  8.759500D-02          -3.642711D-05
                  3.770200D-02           1.153248D-05
            S    20   1.00
                  5.820021D+06          -2.640069D-06
                  8.715234D+05          -2.052720D-05
                  1.983350D+05          -1.079859D-04
                  5.617631D+04          -4.558577D-04
                  1.832582D+04          -1.657758D-03
                  6.614955D+03          -5.368492D-03
                  2.579199D+03          -1.571249D-02
                  1.068849D+03          -4.122558D-02
                  4.651045D+02          -9.406459D-02
                  2.104130D+02          -1.719954D-01
                  9.761629D+01          -1.958523D-01
                  4.438020D+01           4.532907D-02
                  2.142308D+01           5.244442D-01
                  1.030891D+01           5.006142D-01
                  4.553645D+00           8.945527D-02
                  2.132821D+00          -2.146262D-03
                  9.296970D-01           2.112113D-03
                  1.921470D-01          -4.133980D-04
                  8.759500D-02           3.209752D-04
                  3.770200D-02          -1.016140D-04
            S    20   1.00
                  5.820021D+06           9.967103D-07
                  8.715234D+05           7.754163D-06
                  1.983350D+05           4.076019D-05
                  5.617631D+04           1.722811D-04
                  1.832582D+04           6.259370D-04
                  6.614955D+03           2.032855D-03
                  2.579199D+03           5.954646D-03
                  1.068849D+03           1.576640D-02
                  4.651045D+02           3.637638D-02
                  2.104130D+02           6.892343D-02
                  9.761629D+01           8.238093D-02
                  4.438020D+01          -2.011360D-02
                  2.142308D+01          -3.252526D-01
                  1.030891D+01          -4.602899D-01
                  4.553645D+00           1.635546D-01
                  2.132821D+00           7.297118D-01
                  9.296970D-01           3.769751D-01
                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
                  3.770200D-02           1.766214D-03
            S    20   1.00
                  5.820021D+06           1.995818D-07
                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
                  5.617631D+04           3.450747D-05
                  1.832582D+04           1.253275D-04
                  6.614955D+03           4.072990D-04
                  2.579199D+03           1.192734D-03
                  1.068849D+03           3.163140D-03
                  4.651045D+02           7.303942D-03
                  2.104130D+02           1.391279D-02
                  9.761629D+01           1.670620D-02
                  4.438020D+01          -4.035586D-03
                  2.142308D+01          -6.968861D-02
                  1.030891D+01          -1.030105D-01
                  4.553645D+00           4.471442D-02
                  2.132821D+00           2.150027D-01
                  9.296970D-01           2.220163D-01
                  1.921470D-01          -3.114776D-01
                  8.759500D-02          -5.693429D-01
                  3.770200D-02          -2.678440D-01
            S    20   1.00
                  5.820021D+06          -5.435910D-07
                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
                  5.617631D+04          -9.747392D-05
                  1.832582D+04          -3.331615D-04
                  6.614955D+03          -1.166192D-03
                  2.579199D+03          -3.119308D-03
                  1.068849D+03          -9.239504D-03
                  4.651045D+02          -1.855471D-02
                  2.104130D+02          -4.281189D-02
                  9.761629D+01          -3.571095D-02
                  4.438020D+01          -1.638350D-02
                  2.142308D+01           2.644664D-01
                  1.030891D+01           2.086588D-01
                  4.553645D+00          -1.774382D-02
                  2.132821D+00          -1.353873D+00
                  9.296970D-01           8.182926D-01
                  1.921470D-01           1.695036D+00
                  8.759500D-02          -1.388656D+00
                  3.770200D-02          -2.188900D-01
            S    1   1.00
                  3.770200D-02           1.000000D+00
            S    1   1.00
                  1.623000D-02           1.000000D+00
            P    16   1.00
                  2.441198D+04          -1.500000D-05
                  5.778518D+03          -1.350000D-04
                  1.876862D+03          -7.820000D-04
                  7.182361D+02          -3.478000D-03
                  3.048327D+02          -1.252000D-02
                  1.390453D+02          -3.701600D-02
                  6.680417D+01          -8.555900D-02
                  3.320699D+01          -1.447180D-01
                  1.692816D+01          -1.434420D-01
                  8.696229D+00           4.359500D-02
                  4.350510D+00           3.488880D-01
                  2.116523D+00           4.538650D-01
                  9.953870D-01           2.685940D-01
                  3.781120D-01           3.886800D-02
                  1.345790D-01          -2.492000D-03
                  4.628200D-02           1.014000D-03
            P    16   1.00
                  2.441198D+04           3.000000D-06
                  5.778518D+03           2.500000D-05
                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
                  3.048327D+02           2.311000D-03
                  1.390453D+02           6.898000D-03
                  6.680417D+01           1.588200D-02
                  3.320699D+01           2.735000D-02
                  1.692816D+01           2.662100D-02
                  8.696229D+00          -1.085800D-02
                  4.350510D+00          -7.985300D-02
                  2.116523D+00          -1.061270D-01
                  9.953870D-01          -6.888300D-02
                  3.781120D-01           1.843850D-01
                  1.345790D-01           5.617880D-01
                  4.628200D-02           4.144160D-01
            P    16   1.00
                  2.441198D+04           5.000000D-06
                  5.778518D+03           4.200000D-05
                  1.876862D+03           2.380000D-04
                  7.182361D+02           1.088000D-03
                  3.048327D+02           3.821000D-03
                  1.390453D+02           1.164400D-02
                  6.680417D+01           2.616700D-02
                  3.320699D+01           4.675000D-02
                  1.692816D+01           4.330900D-02
                  8.696229D+00          -1.342900D-02
                  4.350510D+00          -1.538970D-01
                  2.116523D+00          -1.674130D-01
                  9.953870D-01          -8.499500D-02
                  3.781120D-01           4.508130D-01
                  1.345790D-01           6.408690D-01
                  4.628200D-02           5.417200D-02
            P    15   1.00
                  2.441198D+04           4.100000D-05
                  5.778518D+03           3.610000D-04
                  1.876862D+03           2.088000D-03
                  7.182361D+02           9.221000D-03
                  3.048327D+02           3.277300D-02
                  1.390453D+02           9.417900D-02
                  6.680417D+01           2.091320D-01
                  3.320699D+01           3.345690D-01
                  1.692816D+01           3.303590D-01
                  8.696229D+00           1.523470D-01
                  4.350510D+00           2.298400D-02
                  2.116523D+00           1.607000D-03
                  9.953870D-01           4.680000D-04
                  3.781120D-01           6.600000D-05
                  1.345790D-01          -2.000000D-06
            P    1   1.00
                  4.628200D-02           1.000000D+00
            P    1   1.00
                  1.592000D-02           1.000000D+00
            D    8   1.00
                  2.056177D+02           2.342000D-03
                  6.144981D+01           1.860600D-02
                  2.305689D+01           7.710200D-02
                  9.577739D+00           2.020260D-01
                  4.133734D+00           3.294540D-01
                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
            D    8   1.00
                  2.056177D+02           3.279000D-03
                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
                  1.747518D+00          -5.837500D-02
                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
            D    1   1.00
                  2.516080D-01           1.000000D+00
            D    1   1.00
                  9.049000D-02           1.000000D+00
            F    2   1.00
                  5.734400D+00           4.311320D-01
                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
            S    14   1.00
                  4.851300D+05           2.068000D-04
                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
                  1.529100D+03           1.111699D-01
                  5.518100D+02           2.753930D-01
                  2.151800D+02           4.212628D-01
                  8.817400D+01           2.738906D-01
                  2.715400D+01           2.837200D-02
                  1.150300D+01          -6.293100D-03
                  3.301800D+00           2.060600D-03
                  1.331400D+00          -9.269000D-04
                  1.931600D-01           2.273000D-04
                  7.089500D-02          -1.063000D-04
            S    14   1.00
                  4.851300D+05          -6.430000D-05
                  7.271900D+04          -4.954000D-04
                  1.655200D+04          -2.620800D-03
                  4.687800D+03          -1.068390D-02
                  1.529100D+03          -3.741230D-02
                  5.518100D+02          -1.009636D-01
                  2.151800D+02          -2.145141D-01
                  8.817400D+01          -1.752297D-01
                  2.715400D+01           4.831599D-01
                  1.150300D+01           6.323677D-01
                  3.301800D+00           6.849420D-02
                  1.331400D+00          -1.187120D-02
                  1.931600D-01           2.665200D-03
                  7.089500D-02          -1.225100D-03
            S    14   1.00
                  4.851300D+05           2.450000D-05
                  7.271900D+04           1.895000D-04
                  1.655200D+04           9.964000D-04
                  4.687800D+03           4.108200D-03
                  1.529100D+03           1.429380D-02
                  5.518100D+02           3.980340D-02
                  2.151800D+02           8.559400D-02
                  8.817400D+01           7.963050D-02
                  2.715400D+01          -2.939107D-01
                  1.150300D+01          -5.263914D-01
                  3.301800D+00           5.864249D-01
                  1.331400D+00           6.726347D-01
                  1.931600D-01           2.761230D-02
                  7.089500D-02          -9.365100D-03
            S    14   1.00
                  4.851300D+05          -5.700000D-06
                  7.271900D+04          -4.400000D-05
                  1.655200D+04          -2.305000D-04
                  4.687800D+03          -9.544000D-04
                  1.529100D+03          -3.305500D-03
                  5.518100D+02          -9.288800D-03
                  2.151800D+02          -1.986440D-02
                  8.817400D+01          -1.908880D-02
                  2.715400D+01           7.323560D-02
                  1.150300D+01           1.341526D-01
                  3.301800D+00          -1.831929D-01
                  1.331400D+00          -3.571308D-01
                  1.931600D-01           6.246013D-01
                  7.089500D-02           5.238430D-01
            S    1   1.00
                  7.089500D-02           1.000000D+00
            S    1   1.00
                  0.0243480              1.0000000
            P    11   1.00
                  3.248600D+03           1.526000D-03
                  7.699700D+02           1.274860D-02
                  2.482000D+02           6.337420D-02
                  9.336400D+01           2.065775D-01
                  3.825100D+01           4.092963D-01
                  1.642200D+01           3.919183D-01
                  6.791800D+00           1.029441D-01
                  2.833600D+00          -7.203000D-04
                  1.106200D+00           2.095000D-03
                  2.225000D-01          -3.290000D-04
                  6.177200D-02           1.162000D-04
            P    11   1.00
                  3.248600D+03          -5.803000D-04
                  7.699700D+02          -4.864700D-03
                  2.482000D+02          -2.483940D-02
                  9.336400D+01          -8.417590D-02
                  3.825100D+01          -1.800885D-01
                  1.642200D+01          -1.585555D-01
                  6.791800D+00           2.355376D-01
                  2.833600D+00           5.820587D-01
                  1.106200D+00           3.366619D-01
                  2.225000D-01           1.719120D-02
                  6.177200D-02          -3.326500D-03
            P    11   1.00
                  3.248600D+03           9.500000D-05
                  7.699700D+02           7.832000D-04
                  2.482000D+02           4.085500D-03
                  9.336400D+01           1.359870D-02
                  3.825100D+01           3.026950D-02
                  1.642200D+01           2.417900D-02
                  6.791800D+00          -4.237770D-02
                  2.833600D+00          -1.265661D-01
                  1.106200D+00          -4.994440D-02
                  2.225000D-01           4.494199D-01
                  6.177200D-02           6.718899D-01
            P    1   1.00
                  6.177200D-02           1.000000D+00
            P    1   1.00
                  0.0151640              1.0000000
            D    5   1.00
                  6.533700D+01           2.738250D-02
                  1.849700D+01           1.510805D-01
                  6.315000D+00           3.749217D-01
                  2.163500D+00           4.750799D-01
                  6.667500D-01           2.982750D-01
            D    1   1.00
                  1.884000D-01           1.000000D+00
            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
            S    14   1.00
                  5.218000D+05           2.045000D-04
                  7.821400D+04           1.586800D-03
                  1.780300D+04           8.248000D-03
                  5.041900D+03           3.366490D-02
                  1.644500D+03           1.101249D-01
                  5.934300D+02           2.735607D-01
                  2.313600D+02           4.210670D-01
                  9.476200D+01           2.766791D-01
                  2.927400D+01           2.921800D-02
                  1.245000D+01          -6.590300D-03
                  3.646300D+00           2.243000D-03
                  1.502500D+00          -1.038200D-03
                  2.450300D-01           2.695000D-04
                  9.159400D-02          -1.228000D-04
            S    14   1.00
                  5.218000D+05          -6.380000D-05
                  7.821400D+04          -4.916000D-04
                  1.780300D+04          -2.600200D-03
                  5.041900D+03          -1.060800D-02
                  1.644500D+03          -3.716020D-02
                  5.934300D+02          -1.005790D-01
                  2.313600D+02          -2.143977D-01
                  9.476200D+01          -1.782617D-01
                  2.927400D+01           4.777404D-01
                  1.245000D+01           6.355983D-01
                  3.646300D+00           7.221740D-02
                  1.502500D+00          -1.272650D-02
                  2.450300D-01           2.960800D-03
                  9.159400D-02          -1.329200D-03
            S    14   1.00
                  5.218000D+05           2.460000D-05
                  7.821400D+04           1.900000D-04
                  1.780300D+04           9.993000D-04
                  5.041900D+03           4.120000D-03
                  1.644500D+03           1.435570D-02
                  5.934300D+02           4.003750D-02
                  2.313600D+02           8.657940D-02
                  9.476200D+01           8.158610D-02
                  2.927400D+01          -2.934770D-01
                  1.245000D+01          -5.367983D-01
                  3.646300D+00           5.637985D-01
                  1.502500D+00           6.947182D-01
                  2.450300D-01           3.157300D-02
                  9.159400D-02          -9.894900D-03
            S    14   1.00
                  5.218000D+05          -6.300000D-06
                  7.821400D+04          -4.860000D-05
                  1.780300D+04          -2.553000D-04
                  5.041900D+03          -1.056000D-03
                  1.644500D+03          -3.667400D-03
                  5.934300D+02          -1.030530D-02
                  2.313600D+02          -2.222000D-02
                  9.476200D+01          -2.152750D-02
                  2.927400D+01           8.067520D-02
                  1.245000D+01           1.524958D-01
                  3.646300D+00          -1.980528D-01
                  1.502500D+00          -4.073954D-01
                  2.450300D-01           6.477288D-01
                  9.159400D-02           5.222033D-01
            S    1   1.00
                  9.159400D-02           1.000000D+00
            S    1   1.00
                  0.0339610              1.0000000
            P    11   1.00
                  3.568100D+03           1.459100D-03
                  8.457200D+02           1.221760D-02
                  2.727400D+02           6.104900D-02
                  1.026800D+02           2.008039D-01
                  4.214800D+01           4.038942D-01
                  1.814900D+01           3.970027D-01
                  7.593400D+00           1.105481D-01
                  3.196400D+00           7.680000D-05
                  1.274300D+00           2.126300D-03
                  2.825800D-01          -3.744000D-04
                  8.409000D-02           1.321000D-04
            P    11   1.00
                  3.568100D+03          -5.630000D-04
                  8.457200D+02          -4.735400D-03
                  2.727400D+02          -2.426430D-02
                  1.026800D+02          -8.309000D-02
                  4.214800D+01          -1.800247D-01
                  1.814900D+01          -1.663295D-01
                  7.593400D+00           2.193717D-01
                  3.196400D+00           5.820239D-01
                  1.274300D+00           3.477720D-01
                  2.825800D-01           1.924550D-02
                  8.409000D-02          -3.482500D-03
            P    11   1.00
                  3.568100D+03           1.115000D-04
                  8.457200D+02           9.212000D-04
                  2.727400D+02           4.827300D-03
                  1.026800D+02           1.622720D-02
                  4.214800D+01           3.663540D-02
                  1.814900D+01           3.078670D-02
                  7.593400D+00          -4.806430D-02
                  3.196400D+00          -1.559804D-01
                  1.274300D+00          -6.323700D-02
                  2.825800D-01           5.040819D-01
                  8.409000D-02           6.182200D-01
            P    1   1.00
                  8.409000D-02           1.000000D+00
            P    1   1.00
                  0.0239450              1.0000000
            D    5   1.00
                  7.476200D+01           2.576840D-02
                  2.130200D+01           1.454421D-01
                  7.343600D+00           3.713721D-01
                  2.565100D+00           4.800002D-01
                  8.197000D-01           2.896800D-01
            D    1   1.00
                  2.470000D-01           1.000000D+00
            D    1   1.00
                  0.0771000              1.0000000
            ****
            -As     0
            S    14   1.00
                  5.595838D+05           2.024000D-04
                  8.387933D+04           1.570900D-03
                  1.909267D+04           8.166200D-03
                  5.407392D+03           3.333990D-02
                  1.763756D+03           1.091726D-01
                  6.364567D+02           2.718853D-01
                  2.480884D+02           4.208509D-01
                  1.015785D+02           2.792257D-01
                  3.147551D+01           3.003010D-02
                  1.343728D+01          -6.880400D-03
                  4.008690D+00           2.424000D-03
                  1.684929D+00          -1.149100D-03
                  3.000190D-01           3.095000D-04
                  1.135870D-01          -1.377000D-04
            S    14   1.00
                  5.595838D+05          -6.340000D-05
                  8.387933D+04          -4.883000D-04
                  1.909267D+04          -2.582100D-03
                  5.407392D+03          -1.054020D-02
                  1.763756D+03          -3.693250D-02
                  6.364567D+02          -1.002355D-01
                  2.480884D+02          -2.142948D-01
                  1.015785D+02          -1.810526D-01
                  3.147551D+01           4.725410D-01
                  1.343728D+01           6.386194D-01
                  4.008690D+00           7.581070D-02
                  1.684929D+00          -1.352780D-02
                  3.000190D-01           3.197000D-03
                  1.135870D-01          -1.405600D-03
            S    14   1.00
                  5.595838D+05           2.460000D-05
                  8.387933D+04           1.907000D-04
                  1.909267D+04           1.003100D-03
                  5.407392D+03           4.135300D-03
                  1.763756D+03           1.442590D-02
                  6.364567D+02           4.029620D-02
                  2.480884D+02           8.756700D-02
                  1.015785D+02           8.351780D-02
                  3.147551D+01          -2.932935D-01
                  1.343728D+01          -5.470520D-01
                  4.008690D+00           5.438738D-01
                  1.684929D+00           7.143591D-01
                  3.000190D-01           3.534430D-02
                  1.135870D-01          -1.028920D-02
            S    14   1.00
                  5.595838D+05          -6.800000D-06
                  8.387933D+04          -5.250000D-05
                  1.909267D+04          -2.756000D-04
                  5.407392D+03          -1.138900D-03
                  1.763756D+03          -3.964600D-03
                  6.364567D+02          -1.114230D-02
                  2.480884D+02          -2.419910D-02
                  1.015785D+02          -2.363390D-02
                  3.147551D+01           8.663170D-02
                  1.343728D+01           1.685839D-01
                  4.008690D+00          -2.091425D-01
                  1.684929D+00          -4.500918D-01
                  3.000190D-01           6.603978D-01
                  1.135870D-01           5.284152D-01
            S    1   1.00
                  1.135870D-01           1.000000D+00
            S    1   1.00
                  0.0411520              1.0000000
            P    11   1.00
                  3.886356D+03           1.409700D-03
                  9.212020D+02           1.182770D-02
                  2.971932D+02           5.932800D-02
                  1.119751D+02           1.965115D-01
                  4.603462D+01           3.997891D-01
                  1.987419D+01           4.004653D-01
                  8.386088D+00           1.164196D-01
                  3.558728D+00           6.918000D-04
                  1.447282D+00           2.163300D-03
                  3.477790D-01          -4.150000D-04
                  1.076990D-01           1.452000D-04
            P    11   1.00
                  3.886356D+03          -5.519000D-04
                  9.212020D+02          -4.655000D-03
                  2.971932D+02          -2.391760D-02
                  1.119751D+02          -8.256270D-02
                  4.603462D+01          -1.806791D-01
                  1.987419D+01          -1.724848D-01
                  8.386088D+00           2.086700D-01
                  3.558728D+00           5.823622D-01
                  1.447282D+00           3.537465D-01
                  3.477790D-01           2.064390D-02
                  1.076990D-01          -3.638200D-03
            P    11   1.00
                  3.886356D+03           1.236000D-04
                  9.212020D+02           1.024000D-03
                  2.971932D+02           5.380500D-03
                  1.119751D+02           1.824430D-02
                  4.603462D+01           4.159790D-02
                  1.987419D+01           3.629980D-02
                  8.386088D+00          -5.235690D-02
                  3.558728D+00          -1.791667D-01
                  1.447282D+00          -7.404770D-02
                  3.477790D-01           5.358094D-01
                  1.076990D-01           5.888104D-01
            P    1   1.00
                  1.076990D-01           1.000000D+00
            P    1   1.00
                  0.0312680              1.0000000
            D    5   1.00
                  8.442423D+01           2.452880D-02
                  2.418159D+01           1.411340D-01
                  8.401777D+00           3.687579D-01
                  2.980502D+00           4.840626D-01
                  9.790030D-01           2.824434D-01
            D    1   1.00
                  3.098000D-01           1.000000D+00
            D    1   1.00
                  0.1078000              1.0000000
            ****
            -Se     0
            S    14   1.00
                  5.989900D+05           2.004000D-04
                  8.978300D+04           1.555400D-03
                  2.043500D+04           8.087200D-03
                  5.786900D+03           3.303440D-02
                  1.887300D+03           1.082924D-01
                  6.809700D+02           2.703361D-01
                  2.653900D+02           4.206236D-01
                  1.086300D+02           2.815922D-01
                  3.376000D+01           3.081100D-02
                  1.446500D+01          -7.161700D-03
                  4.389000D+00           2.602200D-03
                  1.878300D+00          -1.258300D-03
                  3.585900D-01           3.465000D-04
                  1.364900D-01          -1.503000D-04
            S    14   1.00
                  5.989900D+05          -6.290000D-05
                  8.978300D+04          -4.850000D-04
                  2.043500D+04          -2.564400D-03
                  5.786900D+03          -1.047610D-02
                  1.887300D+03          -3.672230D-02
                  6.809700D+02          -9.992250D-02
                  2.653900D+02          -2.141973D-01
                  1.086300D+02          -1.836593D-01
                  3.376000D+01           4.675454D-01
                  1.446500D+01           6.414740D-01
                  4.389000D+00           7.925690D-02
                  1.878300D+00          -1.426970D-02
                  3.585900D-01           3.379200D-03
                  1.364900D-01          -1.453700D-03
            S    14   1.00
                  5.989900D+05           2.470000D-05
                  8.978300D+04           1.913000D-04
                  2.043500D+04           1.006800D-03
                  5.786900D+03           4.151400D-03
                  1.887300D+03           1.449910D-02
                  6.809700D+02           4.056580D-02
                  2.653900D+02           8.853640D-02
                  1.086300D+02           8.542120D-02
                  3.376000D+01          -2.932581D-01
                  1.446500D+01          -5.570727D-01
                  4.389000D+00           5.261436D-01
                  1.878300D+00           7.320371D-01
                  3.585900D-01           3.882460D-02
                  1.364900D-01          -1.050360D-02
            S    14   1.00
                  5.989900D+05          -7.200000D-06
                  8.978300D+04          -5.590000D-05
                  2.043500D+04          -2.938000D-04
                  5.786900D+03          -1.213600D-03
                  1.887300D+03          -4.234000D-03
                  6.809700D+02          -1.190350D-02
                  2.653900D+02          -2.602060D-02
                  1.086300D+02          -2.561480D-02
                  3.376000D+01           9.194270D-02
                  1.446500D+01           1.838700D-01
                  4.389000D+00          -2.188461D-01
                  1.878300D+00          -4.896524D-01
                  3.585900D-01           6.775818D-01
                  1.364900D-01           5.296721D-01
            S    1   1.00
                  1.364900D-01           1.000000D+00
            S    1   1.00
                  0.0487470              1.0000000
            P    11   1.00
                  4.135600D+03           1.412700D-03
                  9.803400D+02           1.185880D-02
                  3.163500D+02           5.951530D-02
                  1.192500D+02           1.972201D-01
                  4.906800D+01           4.007439D-01
                  2.121200D+01           3.994740D-01
                  8.946200D+00           1.153364D-01
                  3.823600D+00           2.219000D-04
                  1.588300D+00           2.283800D-03
                  4.096900D-01          -4.756000D-04
                  1.245900D-01           1.516000D-04
            P    11   1.00
                  4.135600D+03          -5.610000D-04
                  9.803400D+02          -4.734000D-03
                  3.163500D+02          -2.435040D-02
                  1.192500D+02          -8.410710D-02
                  4.906800D+01          -1.841384D-01
                  2.121200D+01          -1.735004D-01
                  8.946200D+00           2.167263D-01
                  3.823600D+00           5.850099D-01
                  1.588300D+00           3.416816D-01
                  4.096900D-01           1.991250D-02
                  1.245900D-01          -2.613100D-03
            P    11   1.00
                  4.135600D+03           1.366000D-04
                  9.803400D+02           1.130800D-03
                  3.163500D+02           5.958100D-03
                  1.192500D+02           2.018660D-02
                  4.906800D+01           4.619390D-02
                  2.121200D+01           3.940500D-02
                  8.946200D+00          -5.928460D-02
                  3.823600D+00          -2.014663D-01
                  1.588300D+00          -6.878210D-02
                  4.096900D-01           5.595944D-01
                  1.245900D-01           5.709784D-01
            P    1   1.00
                  1.245900D-01           1.000000D+00
            P    1   1.00
                  0.0354920              1.0000000
            D    5   1.00
                  9.447200D+01           2.349820D-02
                  2.718000D+01           1.375183D-01
                  9.506800D+00           3.664824D-01
                  3.416800D+00           4.874717D-01
                  1.147900D+00           2.765769D-01
            D    1   1.00
                  3.682000D-01           1.000000D+00
            D    1   1.00
                  0.1283000              1.0000000
            ****
            -Br     0
            S    14   1.00
                  6.401000D+05           1.984000D-04
                  9.593800D+04           1.540000D-03
                  2.183300D+04           8.009600D-03
                  6.181900D+03           3.273410D-02
                  2.015700D+03           1.074480D-01
                  7.271000D+02           2.688946D-01
                  2.832800D+02           4.204411D-01
                  1.159100D+02           2.838041D-01
                  3.612400D+01           3.154550D-02
                  1.553200D+01          -7.426800D-03
                  4.785700D+00           2.772800D-03
                  2.081700D+00          -1.363500D-03
                  4.202800D-01           3.812000D-04
                  1.606900D-01          -1.615000D-04
            S    14   1.00
                  6.401000D+05          -6.250000D-05
                  9.593800D+04          -4.816000D-04
                  2.183300D+04          -2.546600D-03
                  6.181900D+03          -1.041120D-02
                  2.015700D+03          -3.651790D-02
                  7.271000D+02          -9.962950D-02
                  2.832800D+02          -2.141310D-01
                  1.159100D+02          -1.860911D-01
                  3.612400D+01           4.628261D-01
                  1.553200D+01           6.441141D-01
                  4.785700D+00           8.255020D-02
                  2.081700D+00          -1.496940D-02
                  4.202800D-01           3.528800D-03
                  1.606900D-01          -1.490900D-03
            S    14   1.00
                  6.401000D+05           2.480000D-05
                  9.593800D+04           1.919000D-04
                  2.183300D+04           1.010000D-03
                  6.181900D+03           4.165900D-03
                  2.015700D+03           1.456830D-02
                  7.271000D+02           4.083450D-02
                  2.832800D+02           8.948590D-02
                  1.159100D+02           8.727860D-02
                  3.612400D+01          -2.933644D-01
                  1.553200D+01          -5.667109D-01
                  4.785700D+00           5.105658D-01
                  2.081700D+00           7.477214D-01
                  4.202800D-01           4.215120D-02
                  1.606900D-01          -1.066120D-02
            S    14   1.00
                  6.401000D+05          -7.600000D-06
                  9.593800D+04          -5.880000D-05
                  2.183300D+04          -3.092000D-04
                  6.181900D+03          -1.276600D-03
                  2.015700D+03          -4.463400D-03
                  7.271000D+02          -1.255750D-02
                  2.832800D+02          -2.761450D-02
                  1.159100D+02          -2.739450D-02
                  3.612400D+01           9.640940D-02
                  1.553200D+01           1.976871D-01
                  4.785700D+00          -2.266693D-01
                  2.081700D+00          -5.241165D-01
                  4.202800D-01           6.889865D-01
                  1.606900D-01           5.344331D-01
            S    1   1.00
                  1.606900D-01           1.000000D+00
            S    1   1.00
                  0.0569460              1.0000000
            P    11   1.00
                  4.340800D+03           1.444800D-03
                  1.028900D+03           1.212880D-02
                  3.320200D+02           6.080770D-02
                  1.251600D+02           2.009358D-01
                  5.151100D+01           4.047419D-01
                  2.228100D+01           3.957151D-01
                  9.341700D+00           1.102213D-01
                  4.013200D+00          -9.090000D-04
                  1.700200D+00           2.483200D-03
                  4.719400D-01          -5.744000D-04
                  1.442100D-01           1.691000D-04
            P    11   1.00
                  4.340800D+03          -5.819000D-04
                  1.028900D+03          -4.906500D-03
                  3.320200D+02          -2.525140D-02
                  1.251600D+02          -8.694450D-02
                  5.151100D+01          -1.893422D-01
                  2.228100D+01          -1.710882D-01
                  9.341700D+00           2.368755D-01
                  4.013200D+00           5.898400D-01
                  1.700200D+00           3.171944D-01
                  4.719400D-01           1.798330D-02
                  1.442100D-01          -1.468300D-03
            P    11   1.00
                  4.340800D+03           1.518000D-04
                  1.028900D+03           1.256300D-03
                  3.320200D+02           6.622400D-03
                  1.251600D+02           2.238160D-02
                  5.151100D+01           5.097170D-02
                  2.228100D+01           4.140090D-02
                  9.341700D+00          -7.039700D-02
                  4.013200D+00          -2.232540D-01
                  1.700200D+00          -5.641790D-02
                  4.719400D-01           5.808079D-01
                  1.442100D-01           5.508132D-01
            P    1   1.00
                  1.442100D-01           1.000000D+00
            P    1   1.00
                  0.0410490              1.0000000
            D    5   1.00
                  1.048300D+02           2.265830D-02
                  3.027200D+01           1.345895D-01
                  1.064900D+01           3.647181D-01
                  3.869600D+00           4.904196D-01
                  1.323900D+00           2.713885D-01
            D    1   1.00
                  4.098000D-01           1.000000D+00
            D    1   1.00
                  0.1719000              1.0000000
            ****
            -Kr     0
            S    14   1.00
                  6.813588D+05           1.969000D-04
                  1.021265D+05           1.528600D-03
                  2.324371D+04           7.950000D-03
                  6.582007D+03           3.249380D-02
                  2.146429D+03           1.067240D-01
                  7.743378D+02           2.675701D-01
                  3.016702D+02           4.201851D-01
                  1.234118D+02           2.858015D-01
                  3.856755D+01           3.224610D-02
                  1.663738D+01          -7.682800D-03
                  5.198795D+00           2.939300D-03
                  2.294814D+00          -1.466200D-03
                  4.852110D-01           4.144000D-04
                  1.862700D-01          -1.720000D-04
            S    14   1.00
                  6.813588D+05          -6.220000D-05
                  1.021265D+05          -4.794000D-04
                  2.324371D+04          -2.534100D-03
                  6.582007D+03          -1.036360D-02
                  2.146429D+03          -3.635160D-02
                  7.743378D+02          -9.937370D-02
                  3.016702D+02          -2.140610D-01
                  1.234118D+02          -1.883192D-01
                  3.856755D+01           4.583816D-01
                  1.663738D+01           6.465664D-01
                  5.198795D+00           8.565790D-02
                  2.294814D+00          -1.561230D-02
                  4.852110D-01           3.649000D-03
                  1.862700D-01          -1.518900D-03
            S    14   1.00
                  6.813588D+05           2.490000D-05
                  1.021265D+05           1.928000D-04
                  2.324371D+04           1.014900D-03
                  6.582007D+03           4.185700D-03
                  2.146429D+03           1.464590D-02
                  7.743378D+02           4.110700D-02
                  3.016702D+02           9.039550D-02
                  1.234118D+02           8.906230D-02
                  3.856755D+01          -2.935718D-01
                  1.663738D+01          -5.759698D-01
                  5.198795D+00           4.968578D-01
                  2.294814D+00           7.616895D-01
                  4.852110D-01           4.532670D-02
                  1.862700D-01          -1.077220D-02
            S    14   1.00
                  6.813588D+05          -7.900000D-06
                  1.021265D+05          -6.140000D-05
                  2.324371D+04          -3.230000D-04
                  6.582007D+03          -1.333000D-03
                  2.146429D+03          -4.667200D-03
                  7.743378D+02          -1.313520D-02
                  3.016702D+02          -2.903420D-02
                  1.234118D+02          -2.901730D-02
                  3.856755D+01           1.002664D-01
                  1.663738D+01           2.103818D-01
                  5.198795D+00          -2.332471D-01
                  2.294814D+00          -5.546497D-01
                  4.852110D-01           6.969522D-01
                  1.862700D-01           5.408152D-01
            S    1   1.00
                  1.862700D-01           1.000000D+00
            S    1   1.00
                  0.0651450              1.0000000
            P    11   1.00
                  4.474270D+03           1.519500D-03
                  1.060579D+03           1.274240D-02
                  3.422081D+02           6.364650D-02
                  1.289984D+02           2.085635D-01
                  5.308722D+01           4.122423D-01
                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
                  4.083055D+00          -2.507800D-03
                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
                  1.643690D-01           2.107000D-04
            P    11   1.00
                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
                  9.507300D+00           2.738204D-01
                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
                  5.308722D+01           5.571550D-02
                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
                  5.291900D-01           6.012295D-01
                  1.643690D-01           5.254807D-01
            P    1   1.00
                  1.643690D-01           1.000000D+00
            P    1   1.00
                  0.0466060              1.0000000
            D    5   1.00
                  1.155253D+02           2.195570D-02
                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
                  1.507524D+00           2.667560D-01
            D    1   1.00
                  5.030000D-01           1.000000D+00
            D    1   1.00
                  0.2155000              1.0000000
            ****
            -Y     0
            S    7   1.00
                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
                  0.0690850              0.6581470
            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
                  0.0690850             -1.8636390
            S    1   1.00
                  0.0274150              1.0000000
            S    1   1.00
                  0.0109000              1.0000000
            P    6   1.00
                  9.0271500              0.0203960
                  4.0242700             -0.1536620
                  0.9906740              0.4320820
                  0.4727970              0.4983480
                  0.2197340              0.1957420
                  0.0800880              0.0140830
            P    6   1.00
                  9.0271500             -0.0056190
                  4.0242700              0.0465110
                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
                  0.0800880              0.6364970
            P    6   1.00
                  9.0271500              0.0111310
                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
                  0.0800880             -0.1131120
            P    1   1.00
                  0.0306400              1.0000000
            P    1   1.00
                  0.0117000              1.0000000
            D    5   1.00
                  4.3045000             -0.0043910
                  1.3201900              0.1196820
                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
                  4.3045000              0.0044330
                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
                  0.0879490              0.4218970
            D    1   1.00
                  0.0323050              1.0000000
            D    1   1.00
                  0.0119000              1.0000000
            F    1   1.00
                  0.2028000              1.0000000
            F    1   1.00
                  0.0484000              1.0000000
            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
                  0.0777920              0.6560480
            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
                  0.0777920             -1.6769590
            S    1   1.00
                  0.0302340              1.0000000
            S    1   1.00
                  0.0118000              1.0000000
            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
                  0.0847070              0.8518400
            P    1   1.00
                  0.0311380              1.0000000
            P    1   1.00
                  0.0114000              1.0000000
            D    5   1.00
                  4.3948700             -0.0082920
                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
                  4.3948700              0.0084760
                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
                  0.1158780              0.4914180
            D    1   1.00
                  0.0429250              1.0000000
            D    1   1.00
                  0.0159000              1.0000000
            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
                  0.0854690              0.6546160
            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
                  0.0326640              1.0000000
            S    1   1.00
                  0.0125000              1.0000000
            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
                  0.0929460              0.0087660
            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
                  0.0338800              1.0000000
            P    1   1.00
                  0.0123000              1.0000000
            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
                  0.1447240              0.4861590
            D    1   1.00
                  0.0543230              1.0000000
            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
                  0.0925180              0.6498330
            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
                  0.0362770              1.0000000
            P    1   1.00
                  0.0131000              1.0000000
            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
                  0.0623420              1.0000000
            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
                  0.1936070              0.5346560
            D    1   1.00
                  0.0714600              1.0000000
            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
                  0.0824110              1.0000000
            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
                  0.8583350             -0.1858420
                  0.3772750              0.0731610
                  0.1256960              0.5861720
            P    6   1.00
                 14.0509000             -0.0186030
                  7.1390600              0.1098650
                  1.8300700             -0.3664000
                  0.8583350             -0.3473160
                  0.3772750              0.4820340
                  0.1256960              0.7096400
            P    1   1.00
                  0.0426590              1.0000000
            P    1   1.00
                  0.0145000              1.0000000
            D    5   1.00
                 19.2539000              0.0066240
                 10.5848000             -0.0184110
                  2.4561900              0.2633960
                  1.0352900              0.4524480
                  0.4020080              0.3758330
            D    5   1.00
                 19.2539000             -0.0078390
                 10.5848000              0.0218380
                  2.4561900             -0.3691550
                  1.0352900             -0.4309590
                  0.4020080              0.3749650
            D    1   1.00
                  0.1370570              1.0000000
            D    1   1.00
                  0.0467000              1.0000000
            F    1   1.00
                  1.1484000              1.0000000
            F    1   1.00
                  0.3788000              1.0000000
            ****
            -Ag     0
            S    8   1.00
                180.0750000              0.0008490
                 21.8987000             -0.0654500
                 13.8670000              0.2977650
                  6.1426300             -0.7531210
                  1.4381400              0.8811750
                  0.6483820              0.4351760
                  0.1288820              0.0147380
                  0.0457380             -0.0013990
            S    8   1.00
                180.0750000             -0.0002030
                 21.8987000              0.0157230
                 13.8670000             -0.0792290
                  6.1426300              0.2226340
                  1.4381400             -0.3491960
                  0.6483820             -0.2559780
                  0.1288820              0.5486660
                  0.0457380              0.6181030
            S    8   1.00
                180.0750000             -0.0008620
                 21.8987000              0.0525460
                 13.8670000             -0.2081000
                  6.1426300              0.5249720
                  1.4381400             -1.2701730
                  0.6483820              0.5393730
                  0.1288820              1.6533910
                  0.0457380             -1.5839750
            S    1   1.00
                  0.0457380              1.0000000
            S    1   1.00
                  0.0162000              1.0000000
            P    7   1.00
                 11.8751000              0.1162480
                  8.0024500             -0.3072860
                  2.0176600              0.5157360
                  0.9542300              0.5031040
                  0.4231180              0.1420950
                  0.1358850              0.0051530
                  0.0454010              0.0001040
            P    7   1.00
                 11.8751000             -0.0282840
                  8.0024500              0.0783470
                  2.0176600             -0.1567410
                  0.9542300             -0.1886250
                  0.4231180              0.0635650
                  0.1358850              0.5817780
                  0.0454010              0.4999110
            P    7   1.00
                 11.8751000             -0.0528570
                  8.0024500              0.1470390
                  2.0176600             -0.3129730
                  0.9542300             -0.3708280
                  0.4231180              0.4236290
                  0.1358850              0.7536550
                  0.0454010              0.0708700
            P    1   1.00
                  0.0454010              1.0000000
            P    1   1.00
                  0.0152000              1.0000000
            D    6   1.00
                 26.4320000              0.0034790
                 11.0345000             -0.0138480
                  2.7378700              0.2545990
                  1.1957500              0.4498490
                  0.4820420              0.3757380
                  0.1729080              0.1458790
            D    6   1.00
                 26.4320000             -0.0047330
                 11.0345000              0.0190700
                  2.7378700             -0.4332980
                  1.1957500             -0.4445680
                  0.4820420              0.4914420
                  0.1729080              0.5728660
            D    1   1.00
                  0.1729080              1.0000000
            D    1   1.00
                  0.0620000              1.0000000
            F    1   1.00
                  1.3299000              1.0000000
            F    1   1.00
                  0.4449000              1.0000000
            ****
            -Cd     0
            S    8   1.00
                223.8530000              0.0008710
                 23.0948000             -0.0643070
                 14.6522000              0.3013160
                  6.5704440             -0.7605240
                  1.5378300              0.8940710
                  0.6909840              0.4278790
                  0.1349130              0.0101880
                  0.0474420             -0.0024450
            S    8   1.00
                223.8530000             -0.0002290
                 23.0948000              0.0155940
                 14.6522000             -0.0810470
                  6.5704440              0.2272510
                  1.5378300             -0.3625630
                  0.6909840             -0.2507830
                  0.1349130              0.6135330
                  0.0474420              0.5582600
            S    8   1.00
                223.8530000              0.0010770
                 23.0948000             -0.0716490
                 14.6522000              0.2889750
                  6.5704440             -0.7315460
                  1.5378300              1.9768990
                  0.6909840             -1.3519510
                  0.1349130             -1.1186740
                  0.0474420              1.3026160
            S    1   1.00
                  0.0474420              1.0000000
            S    1   1.00
                  0.0167000              1.0000000
            P    7   1.00
                 13.7175000              0.0776160
                  8.4632200             -0.2579430
                  2.1182000              0.5352740
                  0.9892620              0.4963620
                  0.4317810              0.1231090
                  0.1391600              0.0032100
                  0.0461490              0.0003400
            P    7   1.00
                 13.7175000             -0.0180110
                  8.4632200              0.0637170
                  2.1182000             -0.1587410
                  0.9892620             -0.1762800
                  0.4317810              0.0710060
                  0.1391600              0.5775860
                  0.0461490              0.4994910
            P    7   1.00
                 13.7175000             -0.0307300
                  8.4632200              0.1087440
                  2.1182000             -0.2782310
                  0.9892620             -0.3293900
                  0.4317810              0.3546300
                  0.1391600              0.7814580
                  0.0461490              0.0852520
            P    1   1.00
                  0.0461490              1.0000000
            P    1   1.00
                  0.0153000              1.0000000
            D    6   1.00
                 31.6697000              0.0031630
                 12.2214000             -0.0117910
                  3.1219900              0.2411940
                  1.3894100              0.4489980
                  0.5732030              0.3802110
                  0.2117080              0.1445530
            D    6   1.00
                 31.6697000             -0.0048710
                 12.2214000              0.0185820
                  3.1219900             -0.4766730
                  1.3894100             -0.4576040
                  0.5732030              0.5714620
                  0.2117080              0.4973800
            D    1   1.00
                  0.2117080              1.0000000
            D    1   1.00
                  0.0782000              1.0000000
            F    1   1.00
                  1.5393000              1.0000000
            F    1   1.00
                  0.5177000              1.0000000
            ****
            -In     0
            S    8   1.00
                265.1310000              0.0007700
                 25.5694000             -0.0527910
                 16.0041000              0.2593430
                  6.8188500             -0.7392890
                  1.6667600              0.8857730
                  0.7692320              0.4425920
                  0.1704150              0.0115740
                  0.0622300             -0.0024510
            S    8   1.00
                265.1310000             -0.0002300
                 25.5694000              0.0140880
                 16.0041000             -0.0786150
                  6.8188500              0.2528640
                  1.6667600             -0.4155450
                  0.7692320             -0.2966470
                  0.1704150              0.6785780
                  0.0622300              0.5271290
            S    1   1.00
                  0.1704150              1.0000000
            S    1   1.00
                  0.0622300              1.0000000
            S    1   1.00
                  0.0203000              1.0000000
            P    6   1.00
                 14.4691000              0.0901770
                  9.2808300             -0.2676420
                  2.0820100              0.6644830
                  0.8443140              0.4616900
                  0.1869000              0.0270590
                  0.0547770             -0.0046770
            P    6   1.00
                 14.4691000             -0.0190230
                  9.2808300              0.0591570
                  2.0820100             -0.1807490
                  0.8443140             -0.1145820
                  0.1869000              0.4407390
                  0.0547770              0.6877890
            P    1   1.00
                  0.0547770              1.0000000
            P    1   1.00
                  0.0141000              1.0000000
            D    6   1.00
                 30.7879000              0.0057660
                 19.2555000             -0.0107080
                  3.1966200              0.2938600
                  1.3321000              0.5108690
                  0.5046190              0.3415190
                  0.1498000              0.0524650
            D    1   1.00
                  0.1498000              1.0000000
            D    1   1.00
                  0.0472000              1.0000000
            ****
            -Sn     0
            S    8   1.00
                380.3660000              0.0011650
                 28.5822000             -0.0260060
                 17.8892000              0.1660430
                  6.9286200             -0.6589140
                  1.7839100              0.8693360
                  0.8431380              0.4521320
                  0.2052280              0.0129730
                  0.0766360             -0.0024030
            S    8   1.00
                380.3660000             -0.0004420
                 28.5822000              0.0057020
                 17.8892000             -0.0528940
                  6.9286200              0.2520870
                  1.7839100             -0.4703430
                  0.8431380             -0.3161440
                  0.2052280              0.7206250
                  0.0766360              0.5111140
            S    1   1.00
                  0.2052280              1.0000000
            S    1   1.00
                  0.0766360              1.0000000
            S    1   1.00
                  0.0275000              1.0000000
            P    6   1.00
                 18.5489000              0.0370210
                  9.5669600             -0.1938660
                  2.2186100              0.6575940
                  0.9214590              0.4555060
                  0.2178580              0.0272160
                  0.0693200             -0.0046040
            P    6   1.00
                 18.5489000             -0.0090520
                  9.5669600              0.0517620
                  2.2186100             -0.2217430
                  0.9214590             -0.1242790
                  0.2178580              0.5218530
                  0.0693200              0.6099370
            P    1   1.00
                  0.0693200              1.0000000
            P    1   1.00
                  0.0209000              1.0000000
            D    6   1.00
                 38.5626000              0.0042610
                 21.7613000             -0.0068970
                  3.6611100              0.2762770
                  1.5583300              0.5143230
                  0.6095230              0.3445590
                  0.1897000              0.0515940
            D    1   1.00
                  0.1897000              1.0000000
            D    1   1.00
                  0.0649000              1.0000000
            ****
            -Sb     0
            S    8   1.00
                371.5840000              0.0015910
                 26.5392000             -0.0416840
                 16.6213000              0.2733430
                  7.7355100             -0.7676850
                  1.8923400              0.8994960
                  0.9104310              0.4313870
                  0.2442310              0.0128370
                  0.0923970             -0.0021730
            S    8   1.00
                371.5840000              0.0006540
                 26.5392000             -0.0109620
                 16.6213000              0.0938330
                  7.7355100             -0.3040090
                  1.8923400              0.5084090
                  0.9104310              0.3392390
                  0.2442310             -0.7347720
                  0.0923970             -0.5261340
            S    1   1.00
                  0.2442310              1.0000000
            S    1   1.00
                  0.0923970              1.0000000
            S    1   1.00
                  0.0327000              1.0000000
            P    6   1.00
                 16.0509000              0.0921570
                 10.2621000             -0.2755590
                  2.4283200              0.6586400
                  1.0336000              0.4668920
                  0.2594400              0.0285110
                  0.0861080             -0.0051550
            P    6   1.00
                 16.0509000             -0.0253130
                 10.2621000              0.0797960
                  2.4283200             -0.2420940
                  1.0336000             -0.1486050
                  0.2594400              0.5489440
                  0.0861080              0.5892910
            P    1   1.00
                  0.0861080              1.0000000
            P    1   1.00
                  0.0271000              1.0000000
            D    6   1.00
                 45.4785000              0.0032590
                 18.5114000             -0.0054970
                  3.9160000              0.2799530
                  1.7148200              0.5127510
                  0.6973190              0.3328720
                  0.2304000              0.0488430
            D    1   1.00
                  0.2304000              1.0000000
            D    1   1.00
                  0.0802000              1.0000000
            ****
            -Te     0
            S    8   1.00
               2111.1900000              0.0006120
                311.6910000              0.0032070
                 13.8226000              0.4055120
                  8.7174800             -0.9325880
                  1.9830300              0.9196570
                  0.9703770              0.4046710
                  0.2797650              0.0123660
                  0.1067760             -0.0016040
            S    8   1.00
               2111.1900000              0.0002510
                311.6910000              0.0014570
                 13.8226000              0.1637020
                  8.7174800             -0.3984550
                  1.9830300              0.5780740
                  0.9703770              0.3271240
                  0.2797650             -0.7846540
                  0.1067760             -0.4994510
            S    1   1.00
                  0.2797650              1.0000000
            S    1   1.00
                  0.1067760              1.0000000
            S    1   1.00
                  0.0369000              1.0000000
            P    6   1.00
                 17.0629000              0.0893400
                 10.8306000             -0.2711680
                  2.5938000              0.6620230
                  1.1267600              0.4607440
                  0.3001760              0.0288090
                  0.0975510             -0.0038630
            P    6   1.00
                 17.0629000             -0.0268610
                 10.8306000              0.0863040
                  2.5938000             -0.2735020
                  1.1267600             -0.1513900
                  0.3001760              0.5839760
                  0.0975510              0.5650140
            P    1   1.00
                  0.0975510              1.0000000
            P    1   1.00
                  0.0299000              1.0000000
            D    6   1.00
                 50.9106000              0.0033540
                 18.4647000             -0.0036420
                  4.2761700              0.2780800
                  1.8977000              0.5163480
                  0.7864800              0.3265710
                  0.2638000              0.0451520
            D    1   1.00
                  0.2638000              1.0000000
            D    1   1.00
                  0.0988000              1.0000000
            ****
            -I     0
            S    8   1.00
                  2.449790D+03           4.190000D-04
                  3.598080D+02           2.240000D-03
                  1.440580D+01           3.972230D-01
                  9.076320D+00          -9.322490D-01
                  2.088100D+00           9.371380D-01
                  1.034980D+00           3.920860D-01
                  3.162840D-01           1.248500D-02
                  1.217190D-01          -1.329000D-03
            S    8   1.00
                  2.449790D+03           1.750000D-04
                  3.598080D+02           1.057000D-03
                  1.440580D+01           1.690000D-01
                  9.076320D+00          -4.217930D-01
                  2.088100D+00           6.388640D-01
                  1.034980D+00           3.201150D-01
                  3.162840D-01          -8.144280D-01
                  1.217190D-01          -4.897980D-01
            S    1   1.00
                  3.162840D-01           1.000000D+00
            S    1   1.00
                  1.217190D-01           1.000000D+00
            S    1   1.00
                  4.200000D-02           1.0000000
            P    6   1.00
                  1.953010D+01           5.893400D-02
                  1.108820D+01          -2.309300D-01
                  2.715630D+00           6.648010D-01
                  1.204300D+00           4.506730D-01
                  3.399450D-01           2.898000D-02
                  1.108810D-01          -2.889000D-03
            P    6   1.00
                  1.953010D+01          -1.883600D-02
                  1.108820D+01           8.000600D-02
                  2.715630D+00          -3.066520D-01
                  1.204300D+00          -1.475940D-01
                  3.399450D-01           6.075060D-01
                  1.108810D-01           5.470490D-01
            P    1   1.00
                  1.108810D-01           1.000000D+00
            P    1   1.00
                  3.380000D-02           1.0000000
            D    6   1.00
                  4.547650D+01           4.266000D-03
                  1.319280D+01          -1.362500D-02
                  4.227410D+00           3.097560D-01
                  1.942800D+00           5.097720D-01
                  8.397710D-01           2.974610D-01
                  3.000000D-01           4.016400D-02
            D    1   1.00
                  3.000000D-01           1.000000D+00
            D    1   1.00
                  1.191000D-01           1.0000000
            ****
            -Xe     0
            S    8   1.00
               2058.3200000              0.0009380
                307.4270000              0.0044200
                 15.7815000              0.3543950
                  9.5447000             -0.8885140
                  2.2296900              0.9496240
                  1.1120000              0.3810660
                  0.3554300              0.0125430
                  0.1377260             -0.0010730
            S    8   1.00
               2058.3200000             -0.0004380
                307.4270000             -0.0022770
                 15.7815000             -0.1557960
                  9.5447000              0.4175780
                  2.2296900             -0.6793250
                  1.1120000             -0.3183090
                  0.3554300              0.8356730
                  0.1377260              0.4854110
            S    1   1.00
                  0.3554300              1.0000000
            S    1   1.00
                  0.1377260              1.0000000
            S    1   1.00
                  0.0473000              1.0000000
            P    6   1.00
                 20.1725000              0.0687400
                 11.8122000             -0.2446140
                  2.9346000              0.6676480
                  1.3189000              0.4501800
                  0.3858160              0.0286890
                  0.1269610             -0.0034820
            P    6   1.00
                 20.1725000             -0.0229670
                 11.8122000              0.0881150
                  2.9346000             -0.3233110
                  1.3189000             -0.1542280
                  0.3858160              0.6228820
                  0.1269610              0.5375650
            P    1   1.00
                  0.1269610              1.0000000
            P    1   1.00
                  0.0379000              1.0000000
            D    6   1.00
                 52.6666000              0.0048070
                 14.3464000             -0.0045170
                  4.8159700              0.3015100
                  2.2149600              0.5120370
                  0.9611280              0.2990900
                  0.3412000              0.0395700
            D    1   1.00
                  0.3412000              1.0000000
            D    1   1.00
                  0.1404000              1.0000000
            ****
            -Hf     0
            S    7   1.00
                 29.2650000              0.0294330
                 18.3491000             -0.1987340
                 11.5257000              0.4359330
                  4.3859900             -0.7730970
                  0.8910800              0.8677580
                  0.4057400              0.4202920
                  0.0950670              0.0131930
            S    7   1.00
                 29.2650000             -0.0090770
                 18.3491000              0.0611920
                 11.5257000             -0.1354740
                  4.3859900              0.2530470
                  0.8910800             -0.3699320
                  0.4057400             -0.3314430
                  0.0950670              0.6577990
            S    7   1.00
                 29.2650000              0.0309420
                 18.3491000             -0.1631770
                 11.5257000              0.3100050
                  4.3859900             -0.5289420
                  0.8910800              1.2562440
                  0.4057400             -0.4970260
                  0.0950670             -1.8102840
            S    1   1.00
                  0.0358680              1.0000000
            S    1   1.00
                  0.0135000              1.0000000
            P    6   1.00
                  7.1199600              0.1786130
                  4.6018200             -0.5085500
                  2.9004600              0.1812060
                  0.9377910              0.6364370
                  0.3915000              0.4348840
                  0.1071520              0.0442170
            P    6   1.00
                  7.1199600             -0.0485910
                  4.6018200              0.1398590
                  2.9004600             -0.0462230
                  0.9377910             -0.2282940
                  0.3915000             -0.1575630
                  0.1071520              0.5288190
            P    6   1.00
                  7.1199600             -0.0658780
                  4.6018200              0.1871460
                  2.9004600             -0.0488380
                  0.9377910             -0.3615180
                  0.3915000             -0.1743340
                  0.1071520              0.9190410
            P    1   1.00
                  0.0367710              1.0000000
            P    1   1.00
                  0.0126000              1.0000000
            D    5   1.00
                  7.4982700              0.0144910
                  4.6961800             -0.0529680
                  1.0636000              0.2380440
                  0.4188210              0.4352750
                  0.1545660              0.4244200
            D    5   1.00
                  7.4982700             -0.0165460
                  4.6961800              0.0618730
                  1.0636000             -0.3167410
                  0.4188210             -0.5274120
                  0.1545660              0.3428660
            D    1   1.00
                  0.0526440              1.0000000
            D    1   1.00
                  0.0179000              1.0000000
            F    1   1.00
                  0.2700000              1.0000000
            F    1   1.00
                  0.0824000              1.0000000
            ****
            -Ta     0
            S    7   1.00
                 29.8670000              0.0287250
                 18.7203000             -0.1985810
                 11.7533000              0.4482880
                  4.5708900             -0.7983960
                  0.9478400              0.8861040
                  0.4340380              0.4136940
                  0.1050310              0.0121460
            S    7   1.00
                 29.8670000             -0.0091320
                 18.7203000              0.0630170
                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-204978.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    204995.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=10_L-serine_conformer07_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:35:17 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "10_L-serine_conformer07_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.290730000000      0.712663000000      0.358259000000
  C                                                -0.059673000000      0.650207000000     -0.359706000000
  C                                                -0.852428000000     -0.631020000000     -0.023937000000
  O                                                -0.170827000000     -1.783936000000     -0.115771000000
  O                                                 2.106421000000     -0.370921000000     -0.116056000000
  N                                                -0.796184000000      1.869755000000     -0.086038000000
  O                                                -2.012397000000     -0.611288000000      0.285099000000
  H                                                 0.160738000000      0.608893000000     -1.431500000000
  H                                                 1.753555000000      1.672222000000      0.125488000000
  H                                                 1.147859000000      0.642089000000      1.441905000000
  H                                                 0.778104000000     -1.587327000000     -0.255792000000
  H                                                -1.294207000000      1.773751000000      0.793150000000
  H                                                -1.516728000000      1.999402000000     -0.785323000000
  H                                                 2.886618000000     -0.459251000000      0.440467000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 19:35:17 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.290730    0.712663    0.358259
      2          6           0       -0.059673    0.650207   -0.359706
      3          6           0       -0.852428   -0.631020   -0.023937
      4          8           0       -0.170827   -1.783936   -0.115771
      5          8           0        2.106421   -0.370921   -0.116056
      6          7           0       -0.796184    1.869755   -0.086038
      7          8           0       -2.012397   -0.611288    0.285099
      8          1           0        0.160738    0.608893   -1.431500
      9          1           0        1.753555    1.672222    0.125488
     10          1           0        1.147859    0.642089    1.441905
     11          1           0        0.778104   -1.587327   -0.255792
     12          1           0       -1.294207    1.773751    0.793150
     13          1           0       -1.516728    1.999402   -0.785323
     14          1           0        2.886618   -0.459251    0.440467
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.530674   0.000000
     3  C    2.558258   1.543614   0.000000
     4  O    2.931529   2.448859   1.342471   0.000000
     5  O    1.436830   2.407079   2.971687   2.680013   0.000000
     6  N    2.427235   1.450738   2.502178   3.706941   3.666967
     7  O    3.559332   2.412524   1.200592   2.219725   4.145282
     8  H    2.119171   1.095002   2.131929   2.750765   2.544820
     9  H    1.090478   2.137223   3.481149   3.963140   2.087413
    10  H    1.095300   2.168871   2.787588   3.170313   2.090998
    11  H    2.435118   2.391491   1.904446   0.979148   1.806542
    12  H    2.827886   2.028670   2.577930   3.839955   4.121959
    13  H    3.293220   2.030883   2.817822   4.071044   4.381045
    14  H    1.981666   3.248354   3.771689   3.378189   0.962407
                    6          7          8          9         10
     6  N    0.000000
     7  O    2.787919   0.000000
     8  H    2.077436   3.026230   0.000000
     9  H    2.566112   4.407073   2.468187   0.000000
    10  H    2.760630   3.591152   3.038415   1.777919   0.000000
    11  H    3.802449   3.005347   2.566479   3.423673   2.826515
    12  H    1.014995   2.542110   2.902211   3.121688   2.768615
    13  H    1.012419   2.864820   2.272653   3.410480   3.728655
    14  H    4.389135   4.903835   3.474998   2.434383   2.288910
                   11         12         13         14
    11  H    0.000000
    12  H    4.085535   0.000000
    13  H    4.290837   1.609972   0.000000
    14  H    2.490615   4.752892   5.190086   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.49D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.290730    0.712663    0.358259
      2          6           0       -0.059673    0.650207   -0.359706
      3          6           0       -0.852428   -0.631020   -0.023937
      4          8           0       -0.170827   -1.783936   -0.115771
      5          8           0        2.106421   -0.370921   -0.116056
      6          7           0       -0.796184    1.869755   -0.086038
      7          8           0       -2.012397   -0.611288    0.285099
      8          1           0        0.160738    0.608893   -1.431500
      9          1           0        1.753555    1.672222    0.125488
     10          1           0        1.147859    0.642089    1.441905
     11          1           0        0.778104   -1.587327   -0.255792
     12          1           0       -1.294207    1.773751    0.793150
     13          1           0       -1.516728    1.999402   -0.785323
     14          1           0        2.886618   -0.459251    0.440467
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4231422           2.5009554           1.5382060
 Leave Link  202 at Thu Aug 12 19:35:17 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 252 were deleted.
 There are   238 symmetry adapted cartesian basis functions of A   symmetry.
 There are   224 symmetry adapted basis functions of A   symmetry.
   224 basis functions,   413 primitive gaussians,   238 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       326.5886488201 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0187086833 Hartrees.
 Nuclear repulsion after empirical dispersion term =      326.5699401368 Hartrees.
 Leave Link  301 at Thu Aug 12 19:35:18 2021, MaxMem=  5368709120 cpu:              10.1 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   224 RedAO= T EigKep=  2.06D-05  NBF=   224
 NBsUse=   224 1.00D-06 EigRej= -1.00D+00 NBFU=   224
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   238   238   238   238   238 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 19:35:18 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:35:19 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer07_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:35:19 2021, MaxMem=  5368709120 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368591572 LenY=  5368534487
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -399.039953541443    
 DIIS: error= 2.52D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -399.039953541443     IErMin= 1 ErrMin= 2.52D-03
 ErrMax= 2.52D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.40D-03 BMatP= 5.40D-03
 IDIUse=3 WtCom= 9.75D-01 WtEn= 2.52D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.257 Goal=   None    Shift=    0.000
 GapD=    0.257 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.38D-03 MaxDP=2.68D-01              OVMax= 2.43D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.38D-03    CP:  1.00D+00
 E= -399.045467353706     Delta-E=       -0.005513812263 Rises=F Damp=F
 DIIS: error= 3.94D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -399.045467353706     IErMin= 2 ErrMin= 3.94D-04
 ErrMax= 3.94D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.58D-04 BMatP= 5.40D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.94D-03
 Coeff-Com:  0.125D-01 0.988D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.124D-01 0.988D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=5.10D-04 MaxDP=2.26D-02 DE=-5.51D-03 OVMax= 5.01D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.75D-04    CP:  9.97D-01  1.04D+00
 E= -399.045307911432     Delta-E=        0.000159442274 Rises=F Damp=F
 DIIS: error= 6.66D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -399.045467353706     IErMin= 2 ErrMin= 3.94D-04
 ErrMax= 6.66D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.96D-04 BMatP= 1.58D-04
 IDIUse=3 WtCom= 2.79D-01 WtEn= 7.21D-01
 Coeff-Com: -0.157D-01 0.626D+00 0.390D+00
 Coeff-En:   0.000D+00 0.676D+00 0.324D+00
 Coeff:     -0.439D-02 0.662D+00 0.342D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=1.06D-04 MaxDP=6.65D-03 DE= 1.59D-04 OVMax= 3.04D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.01D-05    CP:  9.97D-01  1.04D+00  8.65D-01
 E= -399.045588815883     Delta-E=       -0.000280904451 Rises=F Damp=F
 DIIS: error= 7.41D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -399.045588815883     IErMin= 4 ErrMin= 7.41D-05
 ErrMax= 7.41D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.32D-06 BMatP= 1.58D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.806D-02 0.291D+00 0.142D+00 0.575D+00
 Coeff:     -0.806D-02 0.291D+00 0.142D+00 0.575D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=2.57D-05 MaxDP=1.35D-03 DE=-2.81D-04 OVMax= 6.91D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.97D-05    CP:  9.97D-01  1.04D+00  8.88D-01  1.10D+00
 E= -399.045591790224     Delta-E=       -0.000002974341 Rises=F Damp=F
 DIIS: error= 4.01D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -399.045591790224     IErMin= 5 ErrMin= 4.01D-05
 ErrMax= 4.01D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-06 BMatP= 5.32D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.169D-02 0.396D-01 0.139D-02 0.384D+00 0.576D+00
 Coeff:     -0.169D-02 0.396D-01 0.139D-02 0.384D+00 0.576D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=1.10D-05 MaxDP=4.83D-04 DE=-2.97D-06 OVMax= 3.59D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.27D-06    CP:  9.97D-01  1.04D+00  9.02D-01  1.14D+00  8.38D-01
 E= -399.045592812423     Delta-E=       -0.000001022200 Rises=F Damp=F
 DIIS: error= 1.12D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -399.045592812423     IErMin= 6 ErrMin= 1.12D-05
 ErrMax= 1.12D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.76D-08 BMatP= 1.45D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.355D-03-0.144D-02-0.988D-02 0.160D+00 0.315D+00 0.537D+00
 Coeff:     -0.355D-03-0.144D-02-0.988D-02 0.160D+00 0.315D+00 0.537D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=3.41D-06 MaxDP=1.08D-04 DE=-1.02D-06 OVMax= 6.84D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.05D-06    CP:  9.97D-01  1.04D+00  9.06D-01  1.15D+00  8.25D-01
                    CP:  7.28D-01
 E= -399.045592898562     Delta-E=       -0.000000086139 Rises=F Damp=F
 DIIS: error= 1.73D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -399.045592898562     IErMin= 7 ErrMin= 1.73D-06
 ErrMax= 1.73D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.92D-09 BMatP= 9.76D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.219D-04-0.426D-02-0.430D-02 0.361D-01 0.847D-01 0.211D+00
 Coeff-Com:  0.677D+00
 Coeff:      0.219D-04-0.426D-02-0.430D-02 0.361D-01 0.847D-01 0.211D+00
 Coeff:      0.677D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=7.48D-07 MaxDP=3.76D-05 DE=-8.61D-08 OVMax= 1.62D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.74D-07    CP:  9.97D-01  1.04D+00  9.07D-01  1.15D+00  8.34D-01
                    CP:  7.62D-01  8.91D-01
 E= -399.045592901065     Delta-E=       -0.000000002503 Rises=F Damp=F
 DIIS: error= 5.95D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -399.045592901065     IErMin= 8 ErrMin= 5.95D-07
 ErrMax= 5.95D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.73D-10 BMatP= 2.92D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.274D-04-0.187D-02-0.140D-02 0.780D-02 0.202D-01 0.656D-01
 Coeff-Com:  0.330D+00 0.580D+00
 Coeff:      0.274D-04-0.187D-02-0.140D-02 0.780D-02 0.202D-01 0.656D-01
 Coeff:      0.330D+00 0.580D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=1.76D-07 MaxDP=7.67D-06 DE=-2.50D-09 OVMax= 3.65D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.30D-07    CP:  9.97D-01  1.04D+00  9.07D-01  1.15D+00  8.34D-01
                    CP:  7.65D-01  9.07D-01  8.66D-01
 E= -399.045592901331     Delta-E=       -0.000000000265 Rises=F Damp=F
 DIIS: error= 2.45D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -399.045592901331     IErMin= 9 ErrMin= 2.45D-07
 ErrMax= 2.45D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.50D-11 BMatP= 3.73D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.120D-04-0.410D-03-0.174D-03-0.438D-03-0.793D-03 0.638D-02
 Coeff-Com:  0.883D-01 0.313D+00 0.594D+00
 Coeff:      0.120D-04-0.410D-03-0.174D-03-0.438D-03-0.793D-03 0.638D-02
 Coeff:      0.883D-01 0.313D+00 0.594D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=5.82D-08 MaxDP=2.57D-06 DE=-2.65D-10 OVMax= 1.43D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.27D-08    CP:  9.97D-01  1.04D+00  9.07D-01  1.15D+00  8.34D-01
                    CP:  7.65D-01  9.18D-01  8.85D-01  8.00D-01
 E= -399.045592901363     Delta-E=       -0.000000000033 Rises=F Damp=F
 DIIS: error= 4.44D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -399.045592901363     IErMin=10 ErrMin= 4.44D-08
 ErrMax= 4.44D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.65D-12 BMatP= 5.50D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.374D-05-0.800D-04 0.645D-06-0.609D-03-0.148D-02-0.774D-03
 Coeff-Com:  0.219D-01 0.110D+00 0.275D+00 0.596D+00
 Coeff:      0.374D-05-0.800D-04 0.645D-06-0.609D-03-0.148D-02-0.774D-03
 Coeff:      0.219D-01 0.110D+00 0.275D+00 0.596D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=1.59D-08 MaxDP=6.83D-07 DE=-3.27D-11 OVMax= 3.48D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.35D-08    CP:  9.97D-01  1.04D+00  9.07D-01  1.15D+00  8.34D-01
                    CP:  7.65D-01  9.18D-01  8.93D-01  7.96D-01  8.56D-01
 E= -399.045592901380     Delta-E=       -0.000000000017 Rises=F Damp=F
 DIIS: error= 1.70D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -399.045592901380     IErMin=11 ErrMin= 1.70D-08
 ErrMax= 1.70D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.48D-13 BMatP= 2.65D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.519D-06 0.375D-05 0.219D-04-0.298D-03-0.699D-03-0.107D-02
 Coeff-Com:  0.196D-02 0.218D-01 0.720D-01 0.284D+00 0.622D+00
 Coeff:      0.519D-06 0.375D-05 0.219D-04-0.298D-03-0.699D-03-0.107D-02
 Coeff:      0.196D-02 0.218D-01 0.720D-01 0.284D+00 0.622D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=4.57D-09 MaxDP=1.82D-07 DE=-1.71D-11 OVMax= 1.18D-07

 SCF Done:  E(RB3LYP) =  -399.045592901     A.U. after   11 cycles
            NFock= 11  Conv=0.46D-08     -V/T= 2.0059
 KE= 3.967198223619D+02 PE=-1.588574509036D+03 EE= 4.662391536360D+02
 Leave Link  502 at Thu Aug 12 19:35:47 2021, MaxMem=  5368709120 cpu:             221.8 elap:              27.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   224
 NBasis=   224 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    224 NOA=    28 NOB=    28 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.47918299D+02

 Leave Link  801 at Thu Aug 12 19:35:47 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4334 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.15D-14 8.33D-09 XBig12= 1.00D+00 2.28D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.15D-14 8.33D-09 XBig12= 3.43D-01 8.95D-02.
     11 vectors produced by pass  2 Test12= 9.15D-14 8.33D-09 XBig12= 3.82D-02 3.60D-02.
     11 vectors produced by pass  3 Test12= 9.15D-14 8.33D-09 XBig12= 1.53D-03 6.68D-03.
     11 vectors produced by pass  4 Test12= 9.15D-14 8.33D-09 XBig12= 5.33D-05 1.39D-03.
     11 vectors produced by pass  5 Test12= 9.15D-14 8.33D-09 XBig12= 8.88D-07 1.35D-04.
     11 vectors produced by pass  6 Test12= 9.15D-14 8.33D-09 XBig12= 1.66D-08 1.94D-05.
     11 vectors produced by pass  7 Test12= 9.15D-14 8.33D-09 XBig12= 1.11D-10 1.45D-06.
      8 vectors produced by pass  8 Test12= 9.15D-14 8.33D-09 XBig12= 4.07D-13 8.53D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension    96 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.705651D+02
      2 -0.202114D+01  0.646681D+02
      3 -0.998450D+00  0.681398D+00  0.493190D+02
 Isotropic polarizability for W=    0.088559       61.52 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.276291D+01 -0.245791D+02  0.944265D+01
      2   0.808568D+00  0.393766D+02 -0.827093D+01
      3  -0.357148D+01 -0.147976D+02 -0.117172D+01
      4   0.165087D+02  0.298574D+01  0.804709D+01
      5   0.132502D+02  0.411198D+01  0.798641D+01
      6   0.734171D+01 -0.129981D+01  0.320775D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.391669D+01 -0.202835D+01 -0.174948D+02
      2   0.541147D+01  0.150068D+01  0.394663D+01
      3   0.108404D+02  0.108745D+00  0.171352D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.393510D+01  0.697112D+01 -0.468751D+02
      2  -0.380755D+01  0.705380D+00  0.115579D+02
      3   0.410878D+02 -0.217717D+01  0.322972D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.623321D+00 -0.450334D+00  0.940174D+00
      2  -0.450334D+00 -0.925238D+00  0.158745D+00
      3   0.940174D+00  0.158745D+00 -0.400574D+00
 OR G Eigenvalues:    -1.3274    -0.6018     1.2267  Iso=     0.2342
 Eigenvectors:
   (1)   0.433036   0.706123  -0.560241
   (2)  -0.260880   0.693121   0.671956
   (3)   0.862799  -0.144826   0.484360
 w=    0.088559 a.u., Optical Rotation Beta=      0.2342 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =      112.99 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   25200 ScalPx= 7.18D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.47D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.52D-14 2.78D-09 XBig12= 1.00D+00 4.09D-01.
     30 vectors produced by pass  1 Test12= 1.52D-14 2.78D-09 XBig12= 2.66D-02 4.07D-02.
     30 vectors produced by pass  2 Test12= 1.52D-14 2.78D-09 XBig12= 8.12D-04 3.00D-03.
     30 vectors produced by pass  3 Test12= 1.52D-14 2.78D-09 XBig12= 8.89D-06 3.47D-04.
     30 vectors produced by pass  4 Test12= 1.52D-14 2.78D-09 XBig12= 3.87D-08 2.15D-05.
     30 vectors produced by pass  5 Test12= 1.52D-14 2.78D-09 XBig12= 8.95D-11 8.30D-07.
     20 vectors produced by pass  6 Test12= 1.52D-14 2.78D-09 XBig12= 1.04D-13 2.85D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   200 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 3.60D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 3.60D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.67D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.705651D+02 -0.202114D+01 -0.998450D+00
      2  -0.202114D+01  0.646681D+02  0.681398D+00
      3  -0.998450D+00  0.681398D+00  0.493190D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.391669D+01 -0.202835D+01 -0.174948D+02
      2   0.541147D+01  0.150068D+01  0.394663D+01
      3   0.108404D+02  0.108745D+00  0.171352D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.276291D+01 -0.245791D+02  0.944265D+01
      2   0.808568D+00  0.393766D+02 -0.827093D+01
      3  -0.357148D+01 -0.147976D+02 -0.117172D+01
      4   0.165087D+02  0.298574D+01  0.804709D+01
      5   0.132502D+02  0.411198D+01  0.798641D+01
      6   0.734171D+01 -0.129981D+01  0.320775D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.277707D+01  0.108308D+01  0.167407D+01  0.757381D+00 -0.514271D+01
      2   0.108308D+01 -0.277675D+01  0.327715D+00 -0.514271D+01 -0.399798D+01
      3   0.167407D+01  0.327715D+00  0.175753D+01 -0.630707D-01  0.109267D+01
                 6             7             8             9            10 
      1  -0.630707D-01  0.286706D+01  0.138986D+00  0.985889D+00 -0.462079D+01
      2   0.109267D+01  0.138986D+00  0.233398D+01 -0.401344D+00  0.344165D+00
      3   0.970465D-01  0.985889D+00 -0.401344D+00 -0.744235D+01 -0.983096D+00
                11            12            13            14            15 
      1   0.344165D+00 -0.983096D+00 -0.146569D+01  0.352796D+01  0.327087D+00
      2   0.418713D+01  0.866137D-01  0.352796D+01  0.448703D+01 -0.438931D-02
      3   0.866137D-01 -0.195335D+01  0.327087D+00 -0.438931D-02  0.621152D+00
                16            17            18            19            20 
      1  -0.142350D+01 -0.314719D-01 -0.188163D+01  0.814487D+01  0.474878D+00
      2  -0.314719D-01 -0.157255D+01  0.112103D+00  0.474878D+00 -0.215739D+01
      3  -0.188163D+01  0.112103D+00  0.702709D+01 -0.151733D+01 -0.584322D+00
                21            22            23            24            25 
      1  -0.151733D+01 -0.223800D+00 -0.359841D+01 -0.328318D+00 -0.207394D+01
      2  -0.584322D+00 -0.359841D+01 -0.248113D+01  0.381294D+00 -0.390984D+00
      3   0.970553D+00 -0.328318D+00  0.381294D+00 -0.714429D+00  0.811057D+00
                26            27            28            29            30 
      1  -0.390984D+00  0.811057D+00 -0.528423D+01 -0.303970D+01  0.362472D+00
      2   0.597160D+00 -0.414951D+00 -0.303970D+01 -0.433093D+00 -0.111390D+00
      3  -0.414951D+00 -0.121880D+01  0.362472D+00 -0.111390D+00  0.367527D-01
                31            32            33            34            35 
      1  -0.106218D+01  0.205879D+01 -0.107244D+00  0.100140D+01  0.268991D-01
      2   0.205879D+01 -0.831460D+01 -0.601785D+00  0.268991D-01  0.174184D+00
      3  -0.107244D+00 -0.601785D+00 -0.104634D+01  0.495286D+00 -0.196768D+01
                36            37            38            39            40 
      1   0.495286D+00 -0.288346D+01 -0.112981D+01 -0.290865D+01 -0.188998D+01
      2  -0.196768D+01 -0.112981D+01 -0.232530D+00  0.454431D+00  0.201337D+01
      3  -0.271290D+00 -0.290865D+01  0.454431D+00 -0.108188D+01  0.377988D+00
                41            42            43            44            45 
      1   0.201337D+01  0.377988D+00 -0.571509D+01  0.131327D+01 -0.385181D+00
      2  -0.215804D+01 -0.908536D+00  0.131327D+01 -0.163420D+01 -0.560619D+00
      3  -0.908536D+00 -0.168465D-01 -0.385181D+00 -0.560619D+00 -0.153293D+01
                46            47            48            49            50 
      1   0.352296D+01 -0.760305D+00  0.107002D+01 -0.587065D-01 -0.196718D+01
      2  -0.760305D+00 -0.943993D+00 -0.263352D+00 -0.196718D+01  0.437681D+01
      3   0.107002D+01 -0.263352D+00  0.380583D+01 -0.749999D+00  0.615512D-01
                51            52            53            54            55 
      1  -0.749999D+00  0.163871D+01 -0.678052D+00  0.382086D+01 -0.147332D+02
      2   0.615512D-01 -0.678052D+00 -0.110584D+00  0.716601D+00 -0.105362D+01
      3   0.415820D+00  0.382086D+01  0.716601D+00 -0.187292D+01  0.180031D+01
                56            57            58            59            60 
      1  -0.105362D+01  0.180031D+01 -0.112006D+01 -0.213216D+01  0.289187D+00
      2  -0.308231D+01  0.289391D+00 -0.213216D+01  0.105932D+00  0.470661D+00
      3   0.289391D+00 -0.243611D+01  0.289187D+00  0.470661D+00  0.255440D+00
                61            62            63            64            65 
      1   0.250319D+01  0.445539D+00 -0.357214D+01  0.168263D+01  0.307856D+00
      2   0.445539D+00  0.952082D+00 -0.306121D+00  0.307856D+00 -0.389262D+00
      3  -0.357214D+01 -0.306121D+00  0.217926D+01 -0.104411D+01 -0.340290D-01
                66            67            68            69            70 
      1  -0.104411D+01  0.168580D+00 -0.364751D+00 -0.554475D-01 -0.174521D+01
      2  -0.340290D-01 -0.364751D+00  0.978620D-01 -0.117284D+01  0.128953D-01
      3   0.151094D+01 -0.554475D-01 -0.117284D+01 -0.329669D-01  0.116588D+01
                71            72            73            74            75 
      1   0.128953D-01  0.116588D+01  0.237448D+01  0.213727D+01 -0.504331D+00
      2  -0.157076D+01  0.454398D+00  0.213727D+01  0.262967D+01 -0.153731D+00
      3   0.454398D+00 -0.865726D+01 -0.504331D+00 -0.153731D+00  0.417700D+00
                76            77            78            79            80 
      1   0.320223D+01  0.331394D+01 -0.560950D-03 -0.120482D+01 -0.434737D+00
      2   0.331394D+01  0.742924D+01 -0.490920D+00 -0.434737D+00 -0.148181D+01
      3  -0.560950D-03 -0.490920D+00  0.875691D+00  0.584546D+00  0.117875D+01
                81            82            83            84            85 
      1   0.584546D+00 -0.601093D+00  0.171210D+00  0.928072D+00 -0.222021D+00
      2   0.117875D+01  0.171210D+00  0.230952D+00 -0.223779D+00  0.470339D+00
      3   0.295038D+00  0.928072D+00 -0.223779D+00 -0.119778D+01 -0.345472D-01
                86            87            88            89            90 
      1   0.470339D+00 -0.345472D-01  0.166713D+01 -0.249534D+00  0.405110D+00
      2   0.419671D+00  0.102442D+01 -0.249534D+00  0.113872D+01  0.706985D+00
      3   0.102442D+01 -0.272015D+00  0.405110D+00  0.706985D+00  0.887303D+01
                91            92            93            94            95 
      1   0.736964D+01  0.777767D+00 -0.193605D+00  0.988410D+00  0.126824D+01
      2   0.777767D+00  0.310721D+01  0.251270D+00  0.126824D+01 -0.996298D+00
      3  -0.193605D+00  0.251270D+00  0.720709D+00  0.164556D+00 -0.117421D+00
                96            97            98            99           100 
      1   0.164556D+00 -0.835772D+00  0.177990D+00  0.487553D+00 -0.204404D+01
      2  -0.117421D+00  0.177990D+00 -0.332295D+00 -0.641083D+00  0.810103D+00
      3  -0.535902D+00  0.487553D+00 -0.641083D+00 -0.475936D+00  0.150952D+01
               101           102           103           104           105 
      1   0.810103D+00  0.150952D+01  0.545643D+00 -0.443371D-01 -0.194081D+00
      2  -0.721503D+00 -0.472477D+00 -0.443371D-01  0.631839D+00  0.159723D+00
      3  -0.472477D+00 -0.212217D+01 -0.194081D+00  0.159723D+00 -0.166042D+00
               106           107           108           109           110 
      1   0.262195D+01 -0.545595D+00 -0.242458D+01 -0.468668D+01  0.190594D+01
      2  -0.545595D+00  0.184478D+01  0.681292D+00  0.190594D+01 -0.104457D+01
      3  -0.242458D+01  0.681292D+00  0.468138D+01 -0.230521D+01  0.848637D+00
               111           112           113           114           115 
      1  -0.230521D+01  0.191824D+01 -0.610918D+00  0.776930D+00 -0.376952D+01
      2   0.848637D+00 -0.610918D+00  0.152793D+01 -0.297472D+00  0.115291D+01
      3  -0.222339D+01  0.776930D+00 -0.297472D+00  0.799392D+00 -0.272437D+01
               116           117           118           119           120 
      1   0.115291D+01 -0.272437D+01  0.898185D+01 -0.202883D+01  0.211188D+01
      2  -0.138276D+01  0.992907D+00 -0.202883D+01  0.162644D+01 -0.414979D+00
      3   0.992907D+00 -0.293989D+01  0.211188D+01 -0.414979D+00  0.179465D+01
               121           122           123           124           125 
      1  -0.153804D+01  0.120783D+01 -0.402481D+00  0.446841D+01 -0.938119D+00
      2   0.120783D+01 -0.112827D+01  0.403048D+00 -0.938119D+00  0.104406D+01
      3  -0.402481D+00  0.403048D+00 -0.279997D+00  0.223172D+01 -0.551243D+00
               126 
      1   0.223172D+01
      2  -0.551243D+00
      3   0.135558D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.256090D+01 -0.328396D+01 -0.333193D+01 -0.402000D+01 -0.291236D+01
      2   0.488142D+01  0.446963D+00  0.278881D+01 -0.129493D+01  0.361834D+01
      3   0.314964D+01  0.629235D+01  0.107136D+01  0.828569D+01 -0.396688D+01
                 6             7             8             9            10 
      1   0.384627D-01 -0.173945D+01  0.302968D+01  0.800710D+01  0.272391D+01
      2   0.143170D+01 -0.224633D+01 -0.844648D+00 -0.812679D+01 -0.153913D+01
      3  -0.825507D+00  0.305803D+01 -0.245390D+01  0.199151D+01 -0.974737D+00
                11            12            13            14            15 
      1  -0.178677D+01 -0.272847D+00 -0.231594D+01 -0.274234D+01 -0.242712D+01
      2  -0.219303D+00  0.122068D+01 -0.300424D-01  0.683389D+00  0.172072D+01
      3  -0.384002D+01 -0.101085D+01  0.658530D+00  0.190665D+01  0.108009D+01
                16            17            18            19            20 
      1   0.165544D+01  0.492133D+01 -0.283384D+01 -0.204167D+01  0.872643D+01
      2  -0.476942D+01 -0.688306D+00  0.742985D-01 -0.258144D+01 -0.181448D+01
      3  -0.177808D+01  0.201278D+00 -0.146179D+01 -0.572232D+01  0.205933D+01
                21            22            23            24            25 
      1   0.355057D-01  0.334347D+01  0.519345D+01  0.577754D+01  0.317920D+01
      2  -0.940741D+01 -0.186723D+01 -0.867341D+00  0.603286D+00 -0.122399D+02
      3   0.138292D+01  0.256896D+01  0.900690D+00 -0.202689D+01  0.252605D+01
                26            27            28            29            30 
      1   0.176961D+02 -0.141818D+01  0.147869D+01 -0.196038D+01 -0.801681D-01
      2  -0.432491D+01  0.518248D+01 -0.217632D+01 -0.216560D+00  0.355469D+01
      3  -0.585308D+01 -0.645408D+00  0.172853D+02  0.268915D+01 -0.871848D+00
                31            32            33            34            35 
      1   0.237637D+00  0.105856D+01 -0.801679D+01 -0.894960D+00 -0.412974D+01
      2  -0.424452D+00  0.119291D+00 -0.196253D+01 -0.211214D+01  0.271646D+01
      3   0.122805D+02 -0.145179D+01 -0.602163D-01 -0.326151D+01  0.899914D+00
                36            37            38            39            40 
      1   0.338295D+00 -0.285647D+01  0.628970D+00  0.119890D+01  0.160492D+01
      2  -0.462375D+00 -0.913977D+01  0.299955D+01  0.101158D+01  0.264456D+01
      3  -0.148540D+01  0.651783D+01 -0.798967D+01 -0.238245D-02  0.281338D+00
                41            42            43            44            45 
      1  -0.125770D+01 -0.441129D+01 -0.144269D+01  0.344331D+01 -0.214267D+01
      2  -0.291081D+01 -0.127803D+01 -0.622927D+01  0.153057D+00 -0.580107D+01
      3   0.783730D+01  0.188339D+01 -0.105272D+00  0.534358D+01  0.158166D+01
                46            47            48            49            50 
      1  -0.270517D+01  0.141616D+01 -0.849413D+01  0.282893D+01 -0.188491D+01
      2  -0.160166D+01  0.164057D+01 -0.382202D+00  0.968386D+00 -0.115990D+01
      3   0.952701D+01 -0.646528D+01  0.169885D+01  0.473022D+01 -0.762857D+00
                51            52            53            54            55 
      1  -0.591832D+01 -0.108321D+02  0.224631D+01  0.332340D+01  0.263983D+01
      2  -0.832999D+00 -0.715147D+01  0.272281D+01  0.105416D+01 -0.106863D+01
      3  -0.166079D+01  0.265993D+01 -0.236103D+01  0.105389D+02  0.980808D+01
                56            57            58            59            60 
      1  -0.373694D+01 -0.205562D+01 -0.690448D+00 -0.172632D+00 -0.388602D+01
      2  -0.179647D+00  0.126396D+02  0.104316D+01 -0.502234D+00  0.140908D+01
      3  -0.137370D+02 -0.111205D+01  0.883165D+00  0.137754D+01  0.809284D+00
                61            62            63            64            65 
      1  -0.420859D+01 -0.784237D+00  0.219894D+01  0.509000D+00 -0.329222D-01
      2   0.178067D+01  0.195857D+01 -0.432671D+01  0.131809D+01  0.329938D+00
      3  -0.102843D+01  0.446265D+01  0.296447D+01  0.130669D+01 -0.675909D+00
                66            67            68            69            70 
      1  -0.783792D+00  0.511302D+00  0.742659D+00 -0.202343D+00 -0.131662D+01
      2   0.820655D+00 -0.302566D+00 -0.199150D+00 -0.147666D+00 -0.276400D+01
      3  -0.592608D+00  0.151668D+01 -0.390697D+00 -0.324032D+00 -0.892131D+00
                71            72            73            74            75 
      1   0.232641D+01  0.523033D+01  0.156156D+01  0.136615D+01 -0.121891D+01
      2   0.478450D+00 -0.576761D-01 -0.101326D+01 -0.103959D+01  0.177778D+01
      3   0.690695D+00  0.362405D+00  0.400609D+00 -0.281025D+01 -0.405727D+00
                76            77            78            79            80 
      1   0.993795D+00  0.316661D+01 -0.363313D+01 -0.539048D+00 -0.112164D+01
      2  -0.488117D+00 -0.141121D+01  0.211461D+01 -0.199698D-01  0.148099D+01
      3   0.311537D+01 -0.751378D+01  0.853114D+00 -0.179805D+01  0.169469D+01
                81            82            83            84            85 
      1   0.245953D+00 -0.895730D+00 -0.567522D-01  0.881907D+00  0.272567D+00
      2  -0.122866D+00  0.205670D+01 -0.510616D+00 -0.913312D+00  0.258381D+00
      3  -0.814130D+00 -0.138085D+01 -0.795600D+00  0.964441D+00  0.345802D+00
                86            87            88            89            90 
      1  -0.780218D+00  0.263342D+00 -0.364884D+00  0.318779D+01 -0.839311D+01
      2   0.104809D+01 -0.267289D+00 -0.412870D+01  0.151616D+01  0.113147D+02
      3   0.335541D+00 -0.108645D+01  0.181533D+01 -0.156061D+01 -0.112965D+01
                91            92            93            94            95 
      1  -0.132769D+01 -0.274623D+00  0.228488D+01  0.633811D-02 -0.261773D-01
      2   0.328829D+01  0.101233D+01 -0.889811D+00  0.851426D+00  0.278327D+00
      3  -0.237227D+02 -0.311958D+01  0.401224D+00 -0.367292D+01 -0.808057D+00
                96            97            98            99           100 
      1   0.153336D+00  0.178461D+01  0.640490D+00 -0.490138D+00 -0.358224D+01
      2  -0.115508D+01 -0.247443D+01 -0.349109D+00 -0.359839D+00 -0.725247D+00
      3  -0.311256D+00  0.185120D+01 -0.303882D+00 -0.634954D+00 -0.411564D+01
               101           102           103           104           105 
      1   0.171481D+00  0.533500D+01  0.295155D+00 -0.126318D+01  0.368443D-01
      2   0.893202D+00  0.315429D+01  0.765029D+00  0.451149D+00  0.418126D-01
      3  -0.690415D+00  0.324015D+01  0.687043D+00 -0.489291D+00 -0.265022D+00
               106           107           108           109           110 
      1   0.646161D+01  0.774999D+00 -0.105120D+02  0.488801D+01 -0.106214D+01
      2   0.741781D+00 -0.122117D+01 -0.481443D+01  0.916904D+00 -0.109583D+01
      3   0.596802D+01  0.116532D+01 -0.554063D+01 -0.942144D+01  0.953362D+00
               111           112           113           114           115 
      1   0.527549D+01 -0.207730D+01  0.387008D+00 -0.169492D+01  0.587991D+01
      2   0.316524D+01 -0.710852D+00 -0.953657D-01 -0.774718D+00  0.934560D+00
      3  -0.457565D+01  0.399466D+01 -0.295470D+00  0.188537D+01 -0.791058D+01
               116           117           118           119           120 
      1  -0.270561D+00  0.596828D+01  0.216888D+01 -0.114709D+00  0.122573D+01
      2  -0.967191D+00  0.275657D+01  0.688517D+01 -0.190585D+01  0.611862D+01
      3   0.661622D+00 -0.565950D+01 -0.164715D+01 -0.420387D+01 -0.528605D+00
               121           122           123           124           125 
      1  -0.491556D+00  0.150566D+00 -0.738839D+00  0.136727D+01  0.373192D+00
      2  -0.141276D+01  0.947425D+00 -0.902891D+00  0.539549D+01 -0.162039D+01
      3  -0.391950D+00  0.231034D+01 -0.449843D+00 -0.110450D+01 -0.258725D+01
               126 
      1   0.818390D+00
      2   0.418828D+01
      3  -0.674597D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.188191D+01  0.475641D+00  0.104751D+01  0.126648D+02 -0.533819D+01
      2  -0.260936D+01 -0.170017D+01 -0.362015D+01 -0.162891D+02 -0.112440D+02
      3   0.449127D+01  0.122453D+01  0.257264D+01  0.362429D+01  0.165822D+02
      4   0.440185D+01 -0.113592D+02  0.488556D+01 -0.183151D+02 -0.209434D+02
      5   0.841778D+01  0.904974D+00  0.176268D+01 -0.356638D+01  0.293909D+01
      6   0.407799D+01  0.132090D+01  0.603024D+01  0.288958D+00 -0.498886D+00
                 6             7             8             9            10 
      1  -0.111963D+01  0.576137D+01 -0.139481D-01  0.130158D+02 -0.501181D+01
      2   0.422851D+01 -0.224696D+01  0.318565D+01  0.673834D+01  0.676758D+01
      3  -0.310888D+01 -0.351441D+01 -0.317170D+01 -0.197541D+02 -0.175577D+01
      4   0.322995D+01  0.266696D+01  0.622260D+01  0.114407D+00  0.788119D+00
      5   0.392629D+01  0.292439D+01  0.262798D+00 -0.137795D+02 -0.340944D+01
      6  -0.168106D+01  0.288708D+01  0.119207D+01 -0.947762D+01 -0.353560D+01
                11            12            13            14            15 
      1  -0.820082D+01 -0.338623D+01  0.112886D+01  0.294121D+01  0.776237D+00
      2   0.153904D+02  0.108856D+01  0.306929D+01 -0.283730D+01  0.584699D+00
      3  -0.718961D+01  0.229767D+01 -0.419816D+01 -0.103906D+00 -0.136094D+01
      4  -0.112502D+01 -0.317683D+01 -0.832377D+00  0.504651D+01  0.313400D+00
      5  -0.952548D+00 -0.211840D+01  0.105531D+01  0.971004D+00  0.300495D+01
      6  -0.645131D+00  0.736237D-01  0.813759D+00  0.215521D+01 -0.554204D+00
                16            17            18            19            20 
      1  -0.558898D+01  0.142517D+01  0.888251D+01 -0.329203D+02 -0.101659D+02
      2  -0.103516D+01 -0.631137D+01  0.804550D+01  0.181225D+02  0.851407D+01
      3   0.662414D+01  0.488620D+01 -0.169280D+02  0.147978D+02  0.165179D+01
      4  -0.388391D+01 -0.160058D+01 -0.410771D+01 -0.128239D+02 -0.146389D+02
      5  -0.282484D+00 -0.195028D+01  0.544338D+01  0.617003D+01  0.523661D+00
      6  -0.458808D+01  0.301041D+00  0.790974D+01  0.301913D+01  0.204670D+01
                21            22            23            24            25 
      1   0.385134D+00 -0.170270D+01  0.108862D+02  0.736404D+00  0.878577D+01
      2  -0.500613D+01  0.311985D+01 -0.155603D+02 -0.214169D+01 -0.574197D+01
      3   0.462100D+01 -0.141716D+01  0.467411D+01  0.140529D+01 -0.304381D+01
      4   0.274940D+01 -0.236531D+01  0.846929D+01 -0.175038D+01  0.562031D+01
      5  -0.142405D+02 -0.973698D+00 -0.195853D+01  0.228404D+01  0.183127D+01
      6   0.205650D+01 -0.173199D+01 -0.433173D+01 -0.734087D+01 -0.149604D+01
                26            27            28            29            30 
      1  -0.755030D+00 -0.746444D+01 -0.272734D+01 -0.587853D+00 -0.116300D+01
      2   0.971944D-01 -0.366745D+01  0.754970D+01 -0.463996D+00  0.114377D+01
      3   0.657836D+00  0.111319D+02 -0.482236D+01  0.105185D+01  0.192274D-01
      4   0.581119D+01 -0.732418D+00  0.627576D+01  0.165315D+02 -0.887289D+00
      5  -0.127290D+01  0.758325D+01 -0.782314D+00 -0.844605D-03  0.636838D+01
      6   0.205188D+01  0.173078D+01 -0.201449D+01 -0.327796D+00 -0.154851D+01
                31            32            33            34            35 
      1  -0.648534D+00 -0.296811D+02 -0.206435D+01  0.161350D+00  0.156557D+00
      2  -0.216494D+01  0.428132D+02  0.177242D+01  0.723919D+00  0.261963D+00
      3   0.281347D+01 -0.131321D+02  0.291935D+00 -0.885269D+00 -0.418520D+00
      4   0.106931D+02 -0.720336D+00  0.159913D+01 -0.189807D+01 -0.871420D+00
      5   0.720368D+00  0.177830D+01 -0.204077D+01  0.335681D+01  0.151775D+01
      6   0.122795D+01  0.493929D+01  0.152067D+02 -0.195638D+01  0.133269D+02
                36            37            38            39            40 
      1  -0.870414D+01 -0.637864D+01  0.934413D+00 -0.135995D+02 -0.803508D+01
      2   0.530060D+01  0.267016D+01 -0.324735D+01  0.934336D+01  0.593656D+01
      3   0.340354D+01  0.370848D+01  0.231294D+01  0.425616D+01  0.209853D+01
      4   0.723285D+00  0.366503D+00  0.588121D+01  0.300866D+01  0.954837D+01
      5   0.149626D+00 -0.186108D+02  0.361109D+01  0.250456D+01  0.385297D+01
      6   0.146980D+01  0.270061D+01 -0.119549D+01 -0.139730D+01 -0.143715D+01
                41            42            43            44            45 
      1  -0.601676D-01  0.111722D+01 -0.270160D+02  0.467007D+01 -0.558803D+01
      2   0.727150D+01 -0.174367D+01  0.166376D+02 -0.125858D+01 -0.171543D+01
      3  -0.721133D+01  0.626454D+00  0.103784D+02 -0.341149D+01  0.730346D+01
      4  -0.654074D+01 -0.406421D+01  0.671467D+01 -0.564409D+01 -0.103553D+01
      5  -0.494991D+01 -0.322732D+01  0.141278D+01 -0.280282D+01 -0.113521D+02
      6   0.103579D+01  0.592009D+01  0.790019D+00  0.358540D+01  0.290961D+01
                46            47            48            49            50 
      1  -0.243175D+01  0.901554D+01 -0.117228D+01  0.238058D+01 -0.128736D+02
      2   0.373189D+01 -0.140404D+02 -0.170535D+01 -0.662490D+01  0.261866D+02
      3  -0.130014D+01  0.502485D+01  0.287762D+01  0.424432D+01 -0.133130D+02
      4   0.138907D+02  0.253294D+01  0.373830D+01  0.869809D+01 -0.162569D+02
      5  -0.432522D+01  0.261691D+01 -0.803417D+01  0.127559D+01 -0.115077D+01
      6   0.511197D+01 -0.202898D+01  0.136953D+02 -0.355823D+01 -0.477410D+00
                51            52            53            54            55 
      1   0.148235D+01  0.424420D+00  0.732908D+00 -0.125804D+02  0.676316D+02
      2   0.633411D+00 -0.273269D+01  0.119127D+01  0.103119D+02 -0.400838D+02
      3  -0.211576D+01  0.230827D+01 -0.192418D+01  0.226851D+01 -0.275478D+02
      4  -0.309188D+01  0.462591D+01 -0.217502D+01  0.137625D+02  0.233721D+02
      5  -0.251722D+01 -0.800073D+01  0.341671D+01  0.220290D+01 -0.892645D+01
      6   0.700105D+01  0.165552D+02  0.874149D+01 -0.486698D+01 -0.249709D+01
                56            57            58            59            60 
      1   0.498150D+01 -0.394558D+01  0.249741D+01  0.296776D+01  0.463940D+00
      2   0.416009D+00  0.613843D+01  0.964603D+00  0.340102D+01 -0.115175D+00
      3  -0.539751D+01 -0.219285D+01 -0.346201D+01 -0.636878D+01 -0.348765D+00
      4   0.203964D+02 -0.223726D+01  0.164645D+02  0.608547D+01 -0.208853D+01
      5  -0.836434D+00  0.213688D+02 -0.213179D+00 -0.181179D+01  0.147114D+01
      6  -0.585667D+00  0.329359D+01 -0.149418D+01 -0.975954D+00  0.581664D+01
                61            62            63            64            65 
      1  -0.674845D+01  0.497831D+00  0.821377D+01  0.333140D-01  0.634153D+00
      2   0.690700D+01 -0.119173D+00 -0.104006D+02 -0.427528D+01 -0.642258D+00
      3  -0.158550D+00 -0.378659D+00  0.218686D+01  0.424196D+01  0.810417D-02
      4  -0.289718D+01 -0.429108D+01  0.563381D+01  0.125790D+01  0.227830D+01
      5   0.197769D+02  0.244857D+01 -0.107085D+02 -0.166635D+01  0.172585D+00
      6   0.666901D+01  0.585389D+01 -0.379429D+01 -0.108800D+01 -0.946544D+00
                66            67            68            69            70 
      1   0.148785D+01  0.858201D-01 -0.344602D+01  0.507834D+00  0.160231D+01
      2   0.181439D+01  0.522844D+00  0.108571D+01 -0.228993D+01  0.328496D+01
      3  -0.330224D+01 -0.608664D+00  0.236031D+01  0.178209D+01 -0.488728D+01
      4  -0.938506D+00  0.247569D+01  0.662382D+00 -0.396028D+00 -0.131144D+01
      5   0.759965D+01  0.167832D+00 -0.116401D+01 -0.234701D+00  0.459598D+01
      6   0.152531D+01 -0.112992D+01 -0.150461D+01  0.607019D+01  0.205473D+01
                71            72            73            74            75 
      1   0.265073D+01 -0.180860D+02  0.749217D+01  0.437945D+01 -0.137349D+01
      2  -0.125094D+01 -0.156490D+02  0.153374D+01  0.361115D+01 -0.603650D-01
      3  -0.139979D+01  0.337350D+02 -0.902590D+01 -0.799060D+01  0.143385D+01
      4   0.821570D+00  0.135318D+01  0.139475D+02  0.169581D+02 -0.150360D+01
      5   0.586641D+00 -0.508649D+01 -0.657338D+00  0.498550D-01  0.267053D+01
      6   0.514117D+01 -0.108079D+02 -0.580351D+00  0.317242D+00  0.156964D+01
                76            77            78            79            80 
      1   0.374433D+01 -0.597015D+01  0.475878D+00 -0.253522D+01  0.422264D+00
      2   0.647012D+01  0.244368D+02 -0.241946D+01  0.114939D+00 -0.333429D+01
      3  -0.102145D+02 -0.184666D+02  0.194358D+01  0.242028D+01  0.291203D+01
      4   0.198981D+02  0.325149D+02 -0.193471D+01 -0.349565D+01 -0.553540D+01
      5   0.844307D+00 -0.489939D+00  0.332166D+01  0.327076D+01  0.449253D+01
      6   0.105546D+01  0.941501D+00  0.451966D+01  0.252841D+01  0.550947D+01
                81            82            83            84            85 
      1  -0.250952D+01 -0.158846D+01  0.706982D+00  0.483487D+01 -0.186636D+01
      2   0.125003D+01 -0.125251D+01  0.726935D+00 -0.101395D+01  0.224258D+01
      3   0.125950D+01  0.284097D+01 -0.143392D+01 -0.382091D+01 -0.376216D+00
      4   0.515675D+01  0.917029D-01  0.296181D+01  0.747552D+00  0.293852D+01
      5  -0.193494D+00  0.108220D+01  0.126335D+00  0.369518D+01  0.144281D-01
      6  -0.554036D+00  0.956872D+00 -0.106972D+01 -0.214737D+01  0.271849D+00
                86            87            88            89            90 
      1  -0.223139D+01 -0.110635D+01  0.462964D+01 -0.340024D+01 -0.194723D+02
      2   0.642998D+00  0.195308D+01 -0.321302D+01  0.165989D+01 -0.147371D+02
      3   0.158839D+01 -0.846733D+00 -0.141662D+01  0.174035D+01  0.342094D+02
      4   0.225934D+01  0.206153D+01  0.157603D+01  0.230915D+01  0.273476D+01
      5   0.188902D+01 -0.119219D+01  0.565570D+01  0.171920D+01  0.196063D+02
      6   0.155391D+01  0.541068D+01  0.314444D+00  0.530420D+01  0.120787D+02
                91            92            93            94            95 
      1   0.461563D+01  0.101120D+02  0.174932D+01  0.242878D+01  0.498520D+00
      2  -0.421529D+01 -0.120821D+02 -0.944439D+00 -0.440750D+01  0.113189D+01
      3  -0.400332D+00  0.197014D+01 -0.804883D+00  0.197872D+01 -0.163041D+01
      4  -0.127756D+02 -0.749808D+00  0.141979D+01  0.100688D+01 -0.570785D+01
      5   0.764391D+00  0.588422D+00 -0.145395D+01  0.771878D+00 -0.233211D-01
      6   0.239548D+01 -0.115257D+01 -0.367990D+01 -0.379456D+00  0.345648D+00
                96            97            98            99           100 
      1   0.390704D+00 -0.306091D-02 -0.558077D+00 -0.155523D+01  0.587428D+01
      2   0.554102D-01  0.854849D-01  0.547161D+00  0.112825D+00 -0.288531D+01
      3  -0.446114D+00 -0.824240D-01  0.109163D-01  0.144240D+01 -0.298897D+01
      4  -0.452055D+00  0.199551D+01 -0.133145D+00 -0.154305D+01 -0.935757D+01
      5  -0.210875D+01  0.142981D+01 -0.454782D+00 -0.987087D+00 -0.570931D+01
      6   0.502687D+00 -0.201352D+01  0.289801D+01  0.121910D+01  0.552593D+01
               101           102           103           104           105 
      1  -0.156978D+01 -0.265283D+01 -0.206223D+01 -0.246176D+01  0.702050D+00
      2   0.129796D+00  0.220858D+01  0.152622D+01  0.412080D+01  0.551109D+00
      3   0.143998D+01  0.444247D+00  0.536016D+00 -0.165904D+01 -0.125316D+01
      4   0.640385D+01  0.570462D+01  0.286949D+01  0.330820D+00 -0.170049D+01
      5   0.171577D+01  0.856721D+01  0.571391D+00 -0.991642D+00 -0.798417D-01
      6  -0.198217D+01 -0.870227D+01 -0.147945D+01 -0.197315D+00  0.165700D+01
               106           107           108           109           110 
      1  -0.398206D+01 -0.288078D+01  0.111188D+01  0.115386D+02 -0.317845D+01
      2   0.456542D+01  0.446766D+01 -0.680132D+01 -0.393801D+01 -0.485168D+00
      3  -0.583356D+00 -0.158689D+01  0.568943D+01 -0.760056D+01  0.366362D+01
      4   0.851410D+01 -0.404665D+01 -0.847666D+01 -0.201404D+02  0.112947D+02
      5   0.845643D+01 -0.260126D+01 -0.131643D+02  0.112226D+02 -0.442869D+01
      6  -0.940130D+01  0.307228D+01  0.166555D+02 -0.104361D+02  0.482845D+01
               111           112           113           114           115 
      1   0.450724D+01 -0.263548D+01 -0.323975D+01 -0.124545D+01  0.389115D+01
      2  -0.200956D+01 -0.254550D+00  0.627819D+01 -0.605865D+00 -0.302961D+01
      3  -0.249768D+01  0.289003D+01 -0.303844D+01  0.185131D+01 -0.861535D+00
      4  -0.958191D+01  0.876596D+01 -0.289362D+01  0.448118D+01 -0.127238D+02
      5   0.103080D+02 -0.231708D+01  0.212706D+01 -0.123146D+01  0.112284D+02
      6  -0.942671D+01  0.477844D+01 -0.131760D+01  0.480956D+01 -0.116827D+02
               116           117           118           119           120 
      1   0.115127D+01  0.196169D+01  0.498414D+02 -0.102317D+02  0.119497D+02
      2  -0.250265D+01 -0.421827D+01 -0.281595D+02  0.522046D+01 -0.671152D+01
      3   0.135138D+01  0.225658D+01 -0.216820D+02  0.501126D+01 -0.523821D+01
      4   0.527345D+01 -0.105491D+02 -0.113158D+02  0.730237D+01 -0.324709D+01
      5  -0.416444D+01  0.104554D+02  0.154319D+02 -0.340968D+01  0.103211D+02
      6   0.581354D+01 -0.118402D+02 -0.363633D+01  0.142077D+01 -0.134216D+01
               121           122           123           124           125 
      1  -0.663280D+01  0.489630D+01 -0.157110D+01  0.212834D+02 -0.455299D+01
      2   0.319409D+01 -0.150285D+01  0.445679D+00 -0.136543D+02  0.291195D+01
      3   0.343871D+01 -0.339345D+01  0.112542D+01 -0.762912D+01  0.164104D+01
      4   0.871913D+01 -0.432704D+01  0.279464D+01 -0.550348D+01  0.385942D+01
      5  -0.220375D+01  0.283543D+01 -0.137585D+01  0.149091D+02 -0.321886D+01
      6   0.177550D+01 -0.986439D+00  0.198089D+01 -0.268198D+01  0.187674D+01
               126 
      1   0.989506D+01
      2  -0.744935D+01
      3  -0.244571D+01
      4  -0.303421D+01
      5   0.883216D+01
      6  -0.195084D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 19:40:34 2021, MaxMem=  5368709120 cpu:            2286.9 elap:             286.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.19747 -19.18811 -19.13823 -14.33194 -10.31723
 Alpha  occ. eigenvalues --  -10.26377 -10.24587  -1.11048  -1.07076  -1.02895
 Alpha  occ. eigenvalues --   -0.91437  -0.76547  -0.66426  -0.61491  -0.56575
 Alpha  occ. eigenvalues --   -0.55625  -0.50720  -0.47448  -0.46510  -0.44799
 Alpha  occ. eigenvalues --   -0.43586  -0.41865  -0.39280  -0.37223  -0.32846
 Alpha  occ. eigenvalues --   -0.32111  -0.28639  -0.26777
 Alpha virt. eigenvalues --   -0.03179  -0.01485  -0.00066   0.00521   0.01341
 Alpha virt. eigenvalues --    0.02746   0.03614   0.04798   0.05657   0.06042
 Alpha virt. eigenvalues --    0.06208   0.08258   0.08967   0.09539   0.09754
 Alpha virt. eigenvalues --    0.10671   0.10940   0.11263   0.11467   0.12352
 Alpha virt. eigenvalues --    0.13650   0.14346   0.14728   0.15474   0.16491
 Alpha virt. eigenvalues --    0.16997   0.17936   0.18503   0.20083   0.20904
 Alpha virt. eigenvalues --    0.21671   0.22204   0.22615   0.23654   0.24167
 Alpha virt. eigenvalues --    0.24689   0.25164   0.25938   0.26318   0.27153
 Alpha virt. eigenvalues --    0.28128   0.29588   0.30876   0.31304   0.31818
 Alpha virt. eigenvalues --    0.32472   0.33344   0.35477   0.35776   0.36747
 Alpha virt. eigenvalues --    0.37235   0.38170   0.39501   0.40388   0.42026
 Alpha virt. eigenvalues --    0.42501   0.42982   0.44414   0.45031   0.47194
 Alpha virt. eigenvalues --    0.47833   0.47945   0.50139   0.51776   0.52218
 Alpha virt. eigenvalues --    0.53376   0.55122   0.55633   0.55971   0.57417
 Alpha virt. eigenvalues --    0.57693   0.59678   0.60764   0.62761   0.63791
 Alpha virt. eigenvalues --    0.64596   0.65152   0.65741   0.67418   0.68606
 Alpha virt. eigenvalues --    0.70918   0.72964   0.73862   0.75721   0.76073
 Alpha virt. eigenvalues --    0.76293   0.79040   0.80421   0.82444   0.83160
 Alpha virt. eigenvalues --    0.84489   0.86768   0.90044   0.91001   0.92063
 Alpha virt. eigenvalues --    0.93805   0.94695   0.96281   0.99509   1.02773
 Alpha virt. eigenvalues --    1.04548   1.05107   1.06308   1.07992   1.09612
 Alpha virt. eigenvalues --    1.12346   1.13965   1.15381   1.17164   1.20238
 Alpha virt. eigenvalues --    1.21293   1.22485   1.25181   1.25380   1.28137
 Alpha virt. eigenvalues --    1.32901   1.34179   1.38221   1.41631   1.42211
 Alpha virt. eigenvalues --    1.43319   1.46051   1.48525   1.50581   1.52650
 Alpha virt. eigenvalues --    1.54475   1.57036   1.63396   1.64469   1.64727
 Alpha virt. eigenvalues --    1.66168   1.68534   1.73961   1.75244   1.77401
 Alpha virt. eigenvalues --    1.78693   1.79662   1.83320   1.85691   1.86575
 Alpha virt. eigenvalues --    1.87926   1.91289   1.92897   1.97245   1.98979
 Alpha virt. eigenvalues --    2.02442   2.04871   2.08074   2.09174   2.11611
 Alpha virt. eigenvalues --    2.13123   2.15182   2.15819   2.19209   2.21690
 Alpha virt. eigenvalues --    2.24276   2.26295   2.29963   2.32513   2.33538
 Alpha virt. eigenvalues --    2.36068   2.40655   2.43568   2.45714   2.48478
 Alpha virt. eigenvalues --    2.53666   2.57097   2.60371   2.62544   2.66953
 Alpha virt. eigenvalues --    2.71945   2.72888   2.80401   2.81966   2.94875
 Alpha virt. eigenvalues --    2.98623   3.05735   3.09899   3.13859   3.22896
 Alpha virt. eigenvalues --    3.32050   3.36083   3.37955   3.39200   3.41284
 Alpha virt. eigenvalues --    3.41625   3.45011   3.46435   3.48233   3.52201
 Alpha virt. eigenvalues --    3.55289   3.62455   3.71568   3.80149   3.95635
 Alpha virt. eigenvalues --    4.01487
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.653924   0.189749  -0.201386  -0.001140   0.024471  -0.072351
     2  C    0.189749   7.022481  -1.047450   0.203804   0.007348  -0.187150
     3  C   -0.201386  -1.047450   6.595505  -0.292644   0.014960   0.110831
     4  O   -0.001140   0.203804  -0.292644   8.443187  -0.026093  -0.044197
     5  O    0.024471   0.007348   0.014960  -0.026093   8.288140   0.033244
     6  N   -0.072351  -0.187150   0.110831  -0.044197   0.033244   6.616412
     7  O    0.039099  -0.016686   0.215698  -0.075708  -0.005520  -0.028900
     8  H    0.060769  -0.621798  -0.004953   0.006472  -0.009420   0.072708
     9  H    0.095210   0.199844   0.000616   0.003201  -0.168770  -0.088843
    10  H   -0.031946  -0.187663  -0.053131   0.036872   0.017597   0.006540
    11  H   -0.008088  -0.053080  -0.015688   0.216735   0.021716  -0.002339
    12  H    0.018117  -0.152024  -0.031658  -0.003457  -0.000007   0.394840
    13  H   -0.011404   0.175486  -0.078880   0.006818  -0.001504   0.227185
    14  H   -0.048888   0.045074  -0.013734  -0.007347   0.335563  -0.001340
               7          8          9         10         11         12
     1  C    0.039099   0.060769   0.095210  -0.031946  -0.008088   0.018117
     2  C   -0.016686  -0.621798   0.199844  -0.187663  -0.053080  -0.152024
     3  C    0.215698  -0.004953   0.000616  -0.053131  -0.015688  -0.031658
     4  O   -0.075708   0.006472   0.003201   0.036872   0.216735  -0.003457
     5  O   -0.005520  -0.009420  -0.168770   0.017597   0.021716  -0.000007
     6  N   -0.028900   0.072708  -0.088843   0.006540  -0.002339   0.394840
     7  O    8.338336   0.017761   0.003033  -0.000038   0.010135   0.007398
     8  H    0.017761   1.967880  -0.138346   0.126225   0.002905   0.047968
     9  H    0.003033  -0.138346   1.835919  -0.416106   0.008097  -0.015899
    10  H   -0.000038   0.126225  -0.416106   2.011878  -0.023873   0.008345
    11  H    0.010135   0.002905   0.008097  -0.023873   0.640890  -0.001762
    12  H    0.007398   0.047968  -0.015899   0.008345  -0.001762   0.866811
    13  H    0.000629  -0.114249   0.015571  -0.001718   0.000231  -0.093267
    14  H    0.000566   0.001801   0.008532  -0.073775   0.000562   0.000876
              13         14
     1  C   -0.011404  -0.048888
     2  C    0.175486   0.045074
     3  C   -0.078880  -0.013734
     4  O    0.006818  -0.007347
     5  O   -0.001504   0.335563
     6  N    0.227185  -0.001340
     7  O    0.000629   0.000566
     8  H   -0.114249   0.001801
     9  H    0.015571   0.008532
    10  H   -0.001718  -0.073775
    11  H    0.000231   0.000562
    12  H   -0.093267   0.000876
    13  H    0.947101   0.000178
    14  H    0.000178   0.637209
 Mulliken charges:
               1
     1  C    1.293862
     2  C    0.422065
     3  C    0.801914
     4  O   -0.466500
     5  O   -0.531726
     6  N   -0.036639
     7  O   -0.505805
     8  H   -0.415724
     9  H   -0.342061
    10  H   -0.419208
    11  H    0.203558
    12  H   -0.046282
    13  H   -0.072179
    14  H    0.114724
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.532593
     2  C    0.006342
     3  C    0.801914
     4  O   -0.262942
     5  O   -0.417002
     6  N   -0.155100
     7  O   -0.505805
 Electronic spatial extent (au):  <R**2>=            766.3276
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.9184    Y=              1.6210    Z=              0.2989  Tot=              4.2510
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -40.7982   YY=            -48.4848   ZZ=            -39.2295
   XY=             -5.4980   XZ=              4.8605   YZ=              0.0868
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.0393   YY=             -5.6473   ZZ=              3.6080
   XY=             -5.4980   XZ=              4.8605   YZ=              0.0868
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             36.4690  YYY=            -11.9245  ZZZ=             -0.0573  XYY=              3.2295
  XXY=              5.5414  XXZ=              5.9856  XZZ=             -0.7694  YZZ=              1.0220
  YYZ=             -1.0704  XYZ=             -1.1514
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -439.9321 YYYY=           -440.0344 ZZZZ=            -70.6497 XXXY=            -33.9625
 XXXZ=             34.1550 YYYX=            -18.8709 YYYZ=             -0.1481 ZZZX=              1.5564
 ZZZY=             -1.0159 XXYY=           -128.9880 XXZZ=            -89.0718 YYZZ=            -72.5877
 XXYZ=             -2.9391 YYXZ=              0.9486 ZZXY=             -6.0382
 N-N= 3.265699401368D+02 E-N=-1.588574507453D+03  KE= 3.967198223619D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 19:40:34 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.54870977D+00 6.43249652D-01 1.30228296D-01
 Polarizability= 6.32193334D+01-2.58433716D+00 5.62968229D+01
                -7.22743658D-01 6.51250975D-01 4.40968707D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.4989    0.4992       -1.0103   -1.0106
 2     -0.4989   -0.4992       -0.3407   -0.3407       -2.9497   -2.9485
 3      1.0103    1.0106       10.6239   10.6230        0.3408    0.3407
 4      0.3407    0.3407       -0.0000    0.0000        1.0108    1.0106
 5     -7.6742   -7.6745       -1.0108   -1.0106        0.4988    0.4992
 6     -0.3408   -0.3407       -0.4988   -0.4992       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.4977   -1.4977       -3.0317   -3.0317
 2      1.0221    1.0221       -0.0000    0.0000       -3.0317   -3.0317
 3      1.0221    1.0221       -1.4977   -1.4977        0.0000    0.0000
 4     -1.4977   -1.4977       -1.0221   -1.0221       -8.8455   -8.8455
 5      3.0317    3.0317       31.8691   31.8691        1.0221    1.0221
 6    -23.0236  -23.0236       -3.0317   -3.0317        1.4977    1.4977
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0127    0.0000       -1.9587   -1.9969        4.0505    4.0423
 2      1.9803    1.9969        1.3896    1.3628       11.8626   11.7940
 3     -4.0586   -4.0423      -42.5169  -42.4921       -1.3920   -1.3628
 4     -1.3477   -1.3628        0.0031    0.0000       -4.0117   -4.0423
 5     30.6508   30.6981        4.0838    4.0423       -1.9913   -1.9969
 6      1.3660    1.3628        1.9831    1.9969        0.0154    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0173    0.0000       -6.6980   -6.6544       -3.3862   -3.3831
 2      6.7147    6.6544        4.0759    4.0554      -10.8149  -10.8347
 3      3.4128    3.3831       11.2644   11.2604       -4.0421   -4.0554
 4     -4.0431   -4.0554       -0.0010    0.0000        3.3857    3.3831
 5     -0.4434   -0.4257       -3.4053   -3.3831       -6.6587   -6.6544
 6      4.0449    4.0554        6.6739    6.6544       -0.0417    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      4.3760    4.3800       15.6505   15.5689       14.5859   14.5500
 2     -5.0053   -5.0007        9.8018    9.7815       14.6103   14.5500
 3     -4.9983   -5.0007       15.6507   15.5689       17.7722   17.7136
 4      5.8482    5.7873        9.3849    9.3807       -9.2884   -9.2810
 5      3.1785    3.1636       14.3087   14.3297       -9.4579   -9.3807
 6     -5.0813   -5.0487       -3.1523   -3.1636       -5.7399   -5.7873
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0010   -0.0009   -0.0004    2.9596    5.7483    8.8004
 Low frequencies ---   47.9717   96.8332  151.5223
 Diagonal vibrational polarizability:
       67.4860253      35.6629800     386.9730278
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     47.9669                96.8329               151.5216
 Red. masses --      1.7485                 1.9636                 2.6078
 Frc consts  --      0.0024                 0.0108                 0.0353
 IR Inten    --     30.8864                18.3910                 5.3327
 RamAct Fr= 1--      0.1677                 0.6784                 0.1453
  Dep-P Fr= 1--      0.5605                 0.6623                 0.6191
  Dep-U Fr= 1--      0.7183                 0.7969                 0.7648
 Alpha2 Fr= 1--      0.0006                 0.0011                 0.0003
 Beta2  Fr= 1--      0.0201                 0.0901                 0.0185
 AlphaG Fr= 1--     -0.0054                -0.0051                -0.0009
 Gamma2 Fr= 1--      0.3743                -0.2099                -0.0300
 Delta2 Fr= 1--      0.2144                -0.0272                -0.0454
 Raman1 Fr= 1--       0.671                  2.713                  0.581
 ROA1   Fr= 1--      42.796                -21.020                 -4.336
 CID1   Fr= 1--      63.780                 -7.746                 -7.462
 Raman2 Fr= 1--       0.241                  1.081                  0.222
 ROA2   Fr= 1--       7.268                 -4.820                 -0.358
 CID2   Fr= 1--      30.158                 -4.458                 -1.610
 Raman3 Fr= 1--       0.482                  2.162                  0.444
 ROA3   Fr= 1--      42.796                -21.020                 -4.336
 CID3   Fr= 1--      88.790                 -9.721                 -9.757
 RC180  Fr= 1--       0.437                  0.594                  0.530
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.03     0.02  -0.03  -0.01    -0.06  -0.12   0.20
     2   6     0.00  -0.00  -0.02    -0.00   0.01   0.02     0.03  -0.02   0.04
     3   6     0.01   0.01  -0.00    -0.01   0.01  -0.00    -0.02   0.01   0.02
     4   8    -0.02   0.00  -0.13     0.03   0.02   0.16    -0.02  -0.00   0.03
     5   8    -0.00  -0.01   0.05     0.01  -0.00  -0.10     0.05   0.12  -0.15
     6   7    -0.02  -0.01  -0.04    -0.01  -0.01   0.10     0.02   0.01  -0.14
     7   8     0.05   0.01   0.16    -0.04   0.00  -0.12    -0.01   0.02   0.03
     8   1     0.05  -0.02  -0.01    -0.02   0.04   0.02     0.19  -0.07   0.08
     9   1    -0.01  -0.01   0.05     0.01  -0.02   0.02    -0.13   0.01   0.58
    10   1    -0.06  -0.01   0.02     0.06  -0.08  -0.01    -0.12  -0.54   0.17
    11   1    -0.02   0.00  -0.15     0.03   0.03   0.15    -0.04  -0.02  -0.08
    12   1    -0.53  -0.26  -0.35    -0.54  -0.33  -0.23     0.08   0.18  -0.09
    13   1     0.40   0.33  -0.41     0.42   0.41  -0.26    -0.03  -0.15  -0.12
    14   1    -0.06  -0.06   0.12     0.07   0.02  -0.18     0.07   0.02  -0.19
                      4                      5                      6
                      A                      A                      A
 Frequencies --    263.6581               292.3915               312.4592
 Red. masses --      2.7899                 1.7026                 3.9498
 Frc consts  --      0.1143                 0.0858                 0.2272
 IR Inten    --      6.9488                89.5744                26.9409
 RamAct Fr= 1--      0.4188                 0.5478                 1.1353
  Dep-P Fr= 1--      0.6143                 0.7477                 0.2691
  Dep-U Fr= 1--      0.7611                 0.8557                 0.4240
 Alpha2 Fr= 1--      0.0010                 0.0000                 0.0127
 Beta2  Fr= 1--      0.0531                 0.0781                 0.0802
 AlphaG Fr= 1--     -0.0024                 0.0001                -0.0084
 Gamma2 Fr= 1--      0.1900                 0.3322                -0.0591
 Delta2 Fr= 1--      0.0573                 0.0614                -0.0244
 Raman1 Fr= 1--       1.675                  2.191                  4.541
 ROA1   Fr= 1--      20.072                 33.859                 -6.454
 CID1   Fr= 1--      11.981                 15.453                 -1.421
 Raman2 Fr= 1--       0.638                  0.937                  0.963
 ROA2   Fr= 1--       4.101                  7.482                 -1.224
 CID2   Fr= 1--       6.433                  7.982                 -1.271
 Raman3 Fr= 1--       1.275                  1.875                  1.926
 ROA3   Fr= 1--      20.072                 33.859                 -6.454
 CID3   Fr= 1--      15.743                 18.060                 -3.352
 RC180  Fr= 1--       0.522                  0.711                 -0.152
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.07   0.02    -0.00  -0.01  -0.05    -0.02  -0.02   0.03
     2   6    -0.05   0.07  -0.04    -0.02  -0.04  -0.04     0.07   0.03  -0.11
     3   6     0.03   0.03  -0.02    -0.05  -0.00  -0.01     0.12   0.04  -0.10
     4   8     0.18   0.12   0.04    -0.04  -0.00   0.02    -0.01  -0.04   0.07
     5   8    -0.14  -0.12  -0.04     0.16   0.09  -0.02    -0.05  -0.03  -0.02
     6   7    -0.00   0.10  -0.03     0.02  -0.02   0.04    -0.20  -0.17   0.06
     7   8     0.04  -0.09   0.02    -0.05   0.00   0.01     0.15   0.26  -0.00
     8   1    -0.02   0.10  -0.03    -0.07  -0.02  -0.05     0.12   0.18  -0.10
     9   1     0.05  -0.11   0.14    -0.08   0.04  -0.01     0.06  -0.02   0.21
    10   1    -0.13  -0.18   0.00    -0.03  -0.03  -0.06    -0.15  -0.16   0.00
    11   1     0.16   0.25  -0.01    -0.06   0.02  -0.09    -0.01  -0.12  -0.03
    12   1     0.07   0.15   0.02     0.04  -0.06   0.04    -0.09  -0.44   0.10
    13   1    -0.05   0.08   0.02     0.02   0.06   0.06    -0.36  -0.39   0.18
    14   1    -0.45  -0.59   0.32    -0.42  -0.49   0.70    -0.16  -0.21   0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    347.5246               417.6098               535.9993
 Red. masses --      2.5809                 4.9865                 5.0811
 Frc consts  --      0.1837                 0.5124                 0.8601
 IR Inten    --     26.6146                 3.5388                 2.9888
 RamAct Fr= 1--      0.3953                 3.0232                 5.4881
  Dep-P Fr= 1--      0.6519                 0.7332                 0.1041
  Dep-U Fr= 1--      0.7893                 0.8461                 0.1885
 Alpha2 Fr= 1--      0.0007                 0.0009                 0.0951
 Beta2  Fr= 1--      0.0520                 0.4263                 0.1724
 AlphaG Fr= 1--     -0.0099                 0.0006                -0.0109
 Gamma2 Fr= 1--      0.0273                 0.3227                 0.2664
 Delta2 Fr= 1--     -0.0533                -0.0775                 0.0243
 Raman1 Fr= 1--       1.581                 12.093                 21.952
 ROA1   Fr= 1--       0.917                 28.496                 26.349
 CID1   Fr= 1--       0.580                  2.356                  1.200
 Raman2 Fr= 1--       0.624                  5.116                  2.069
 ROA2   Fr= 1--       1.082                  8.364                  6.198
 CID2   Fr= 1--       1.733                  1.635                  2.995
 Raman3 Fr= 1--       1.248                 10.232                  4.139
 ROA3   Fr= 1--       0.917                 28.496                 26.349
 CID3   Fr= 1--       0.735                  2.785                  6.367
 RC180  Fr= 1--       0.579                  0.692                 -0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.15   0.10   0.05     0.09  -0.16  -0.03     0.11  -0.04  -0.00
     2   6     0.05   0.02   0.21    -0.06  -0.03   0.03    -0.01   0.25  -0.05
     3   6     0.03  -0.00   0.11    -0.10   0.11   0.04     0.03   0.00  -0.09
     4   8    -0.03  -0.02  -0.05     0.08   0.27  -0.06    -0.14  -0.15   0.08
     5   8    -0.05  -0.02  -0.08     0.24  -0.15   0.05     0.16  -0.09   0.02
     6   7    -0.11  -0.02  -0.08    -0.19  -0.09  -0.04    -0.20   0.26  -0.02
     7   8    -0.02   0.00  -0.07    -0.11   0.02   0.02     0.07  -0.15   0.02
     8   1     0.09  -0.10   0.22    -0.11  -0.08   0.02    -0.04   0.42  -0.05
     9   1     0.18   0.04  -0.16     0.07  -0.16  -0.05     0.26  -0.07   0.18
    10   1     0.40   0.20   0.08     0.13  -0.15  -0.03     0.02  -0.18  -0.03
    11   1    -0.03   0.01  -0.03     0.09   0.36   0.05    -0.12  -0.40  -0.06
    12   1    -0.19   0.11  -0.12    -0.14  -0.10  -0.02    -0.18   0.25  -0.00
    13   1    -0.05  -0.28  -0.19    -0.27  -0.36  -0.02    -0.23   0.10  -0.03
    14   1    -0.27  -0.50   0.16     0.41   0.25  -0.13     0.16   0.05   0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    612.5585               735.1443               762.0469
 Red. masses --      4.4816                 3.7228                 1.2610
 Frc consts  --      0.9908                 1.1854                 0.4315
 IR Inten    --     23.0235                12.5882                75.9020
 RamAct Fr= 1--      2.3475                 2.7388                 3.4914
  Dep-P Fr= 1--      0.7379                 0.0495                 0.2131
  Dep-U Fr= 1--      0.8492                 0.0944                 0.3514
 Alpha2 Fr= 1--      0.0005                 0.0542                 0.0458
 Beta2  Fr= 1--      0.3323                 0.0431                 0.2045
 AlphaG Fr= 1--      0.0038                 0.0134                 0.0941
 Gamma2 Fr= 1--     -1.0029                -0.2171                -0.2048
 Delta2 Fr= 1--      0.0597                -0.1490                 0.4779
 Raman1 Fr= 1--       9.390                 10.955                 13.966
 ROA1   Fr= 1--     -94.363                -25.610                 -4.371
 CID1   Fr= 1--     -10.049                 -2.338                 -0.313
 Raman2 Fr= 1--       3.987                  0.517                  2.454
 ROA2   Fr= 1--     -24.547                 -4.018                 -8.739
 CID2   Fr= 1--      -6.157                 -7.770                 -3.562
 Raman3 Fr= 1--       7.974                  1.034                  4.907
 ROA3   Fr= 1--     -94.363                -25.610                 -4.371
 CID3   Fr= 1--     -11.834                -24.760                 -0.891
 RC180  Fr= 1--       0.698                 -0.811                 -0.297
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.15  -0.11  -0.09    -0.06  -0.02  -0.08     0.03   0.03   0.02
     2   6    -0.20  -0.07   0.13     0.07   0.04  -0.08     0.02   0.03  -0.04
     3   6     0.11  -0.07   0.16     0.16   0.14   0.30    -0.05  -0.05  -0.02
     4   8     0.12  -0.14  -0.08    -0.15   0.08  -0.06     0.02  -0.04  -0.05
     5   8     0.08  -0.03   0.00    -0.01   0.01  -0.00     0.01  -0.00  -0.02
     6   7    -0.06   0.14  -0.00     0.02  -0.03   0.01    -0.00   0.01   0.00
     7   8     0.07   0.21  -0.09     0.07  -0.13  -0.09    -0.04   0.02   0.04
     8   1    -0.42  -0.17   0.09    -0.22  -0.23  -0.13     0.05   0.04  -0.03
     9   1    -0.23  -0.08  -0.09     0.06   0.02   0.30     0.08   0.02   0.10
    10   1    -0.10  -0.12  -0.08    -0.38  -0.25  -0.13    -0.00  -0.04   0.01
    11   1     0.16  -0.10   0.20    -0.03  -0.20   0.44     0.16   0.12   0.95
    12   1    -0.10   0.46   0.00    -0.00  -0.27  -0.03     0.01  -0.06   0.00
    13   1     0.04   0.20  -0.08    -0.03  -0.08   0.05    -0.03   0.01   0.02
    14   1    -0.01   0.19   0.17    -0.08   0.08   0.11    -0.02  -0.08   0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    813.5457               898.5335               991.0884
 Red. masses --      2.7960                 1.5223                 2.1300
 Frc consts  --      1.0903                 0.7241                 1.2327
 IR Inten    --     12.6564               148.5052                 7.5063
 RamAct Fr= 1--      5.3642                 2.6307                 7.0751
  Dep-P Fr= 1--      0.0672                 0.1007                 0.3631
  Dep-U Fr= 1--      0.1259                 0.1830                 0.5327
 Alpha2 Fr= 1--      0.1017                 0.0460                 0.0595
 Beta2  Fr= 1--      0.1125                 0.0802                 0.6282
 AlphaG Fr= 1--     -0.0982                -0.0281                -0.0589
 Gamma2 Fr= 1--      0.0567                -0.0325                -1.2386
 Delta2 Fr= 1--      0.1649                 0.1508                -0.3334
 Raman1 Fr= 1--      21.457                 10.523                 28.301
 ROA1   Fr= 1--      10.717                  1.706               -129.575
 CID1   Fr= 1--       0.499                  0.162                 -4.579
 Raman2 Fr= 1--       1.350                  0.963                  7.538
 ROA2   Fr= 1--       0.041                 -1.986                -27.060
 CID2   Fr= 1--       0.031                 -2.063                 -3.590
 Raman3 Fr= 1--       2.701                  1.926                 15.076
 ROA3   Fr= 1--      10.717                  1.706               -129.575
 CID3   Fr= 1--       3.969                  0.886                 -8.595
 RC180  Fr= 1--      -0.748                 -0.634                  0.065
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.06  -0.00     0.06   0.05   0.03    -0.01   0.07   0.17
     2   6     0.07   0.08  -0.14    -0.07   0.03  -0.03    -0.10  -0.12  -0.13
     3   6    -0.06  -0.10   0.19     0.01   0.01   0.01     0.04   0.00   0.05
     4   8     0.12  -0.09  -0.02    -0.01   0.01  -0.00    -0.03   0.02  -0.00
     5   8    -0.01  -0.01   0.03     0.01  -0.01   0.00     0.05  -0.04  -0.03
     6   7    -0.01   0.04   0.00    -0.05  -0.16  -0.02    -0.03   0.09  -0.00
     7   8    -0.15   0.06  -0.02     0.02   0.00  -0.01     0.03  -0.00  -0.03
     8   1    -0.13  -0.04  -0.17    -0.12   0.06  -0.04     0.13  -0.34  -0.07
     9   1     0.31   0.05   0.38     0.13   0.04   0.15    -0.13   0.03  -0.21
    10   1    -0.25  -0.18  -0.06    -0.02  -0.06   0.02     0.20   0.32   0.21
    11   1    -0.01   0.17  -0.59    -0.01  -0.00   0.01    -0.02  -0.02  -0.03
    12   1     0.01  -0.25  -0.01     0.28   0.53   0.19     0.08  -0.34   0.02
    13   1    -0.09   0.04   0.08     0.17   0.67  -0.04    -0.23   0.32   0.23
    14   1     0.07  -0.06  -0.11     0.05  -0.09  -0.07     0.15  -0.34  -0.22
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1028.3208              1056.6756              1155.0227
 Red. masses --      4.3433                 2.0606                 1.4496
 Frc consts  --      2.7060                 1.3556                 1.1394
 IR Inten    --    105.1666                 8.3834                 4.1778
 RamAct Fr= 1--      1.7556                 1.1563                 0.3073
  Dep-P Fr= 1--      0.4692                 0.7347                 0.5933
  Dep-U Fr= 1--      0.6387                 0.8471                 0.7447
 Alpha2 Fr= 1--      0.0099                 0.0003                 0.0009
 Beta2  Fr= 1--      0.1869                 0.1632                 0.0381
 AlphaG Fr= 1--     -0.0052                -0.0008                 0.0001
 Gamma2 Fr= 1--     -0.3368                -0.7803                 0.0731
 Delta2 Fr= 1--     -0.0039                -0.1946                -0.0236
 Raman1 Fr= 1--       7.022                  4.625                  1.229
 ROA1   Fr= 1--     -32.461                -81.131                  6.266
 CID1   Fr= 1--      -4.623                -17.541                  5.098
 Raman2 Fr= 1--       2.243                  1.959                  0.458
 ROA2   Fr= 1--      -8.053                -17.170                  1.944
 CID2   Fr= 1--      -3.591                 -8.765                  4.247
 Raman3 Fr= 1--       4.485                  3.918                  0.915
 ROA3   Fr= 1--     -32.461                -81.131                  6.266
 CID3   Fr= 1--      -7.237                -20.707                  6.845
 RC180  Fr= 1--       0.277                  0.694                  0.489
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.31  -0.20  -0.06     0.01   0.20  -0.02     0.01   0.04  -0.07
     2   6    -0.09  -0.16  -0.04    -0.06  -0.09   0.07     0.10  -0.09   0.03
     3   6     0.01   0.02  -0.06     0.00  -0.06  -0.09    -0.01  -0.04  -0.02
     4   8    -0.01   0.02   0.00    -0.04   0.05   0.02    -0.01   0.03   0.00
     5   8    -0.15   0.21   0.11     0.04  -0.08  -0.01    -0.02  -0.03  -0.01
     6   7    -0.04   0.10   0.01     0.04   0.03   0.01    -0.08   0.05   0.00
     7   8     0.05   0.00  -0.00     0.05   0.00   0.01     0.00   0.00   0.00
     8   1    -0.50  -0.36  -0.12    -0.44  -0.15  -0.01     0.44  -0.36   0.10
     9   1     0.22  -0.08   0.17     0.13   0.26   0.49    -0.03   0.12   0.17
    10   1     0.13  -0.28  -0.07    -0.37  -0.25  -0.10     0.14  -0.32  -0.08
    11   1     0.00  -0.01   0.12    -0.04   0.09  -0.03    -0.01   0.02  -0.02
    12   1    -0.09  -0.02  -0.02    -0.14   0.03  -0.08     0.11  -0.03   0.09
    13   1    -0.12   0.03   0.06     0.03  -0.29  -0.05    -0.11   0.42   0.11
    14   1     0.01  -0.27  -0.20     0.10  -0.13  -0.09    -0.16   0.39   0.26
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1178.5771              1215.5463              1237.8635
 Red. masses --      1.9319                 2.5279                 1.1317
 Frc consts  --      1.5811                 2.2006                 1.0217
 IR Inten    --     53.0482                46.6451                 2.3093
 RamAct Fr= 1--      1.3912                 7.9856                 2.6185
  Dep-P Fr= 1--      0.5095                 0.4683                 0.6642
  Dep-U Fr= 1--      0.6750                 0.6379                 0.7982
 Alpha2 Fr= 1--      0.0066                 0.0454                 0.0040
 Beta2  Fr= 1--      0.1565                 0.8490                 0.3484
 AlphaG Fr= 1--      0.0303                 0.0670                -0.0083
 Gamma2 Fr= 1--      0.4944                 0.4027                -0.0923
 Delta2 Fr= 1--     -0.5334                 0.8585                 0.2997
 Raman1 Fr= 1--       5.565                 31.942                 10.474
 ROA1   Fr= 1--      30.398                 66.129                  0.726
 CID1   Fr= 1--       5.463                  2.070                  0.069
 Raman2 Fr= 1--       1.878                 10.188                  4.180
 ROA2   Fr= 1--      16.134                  2.797                 -4.614
 CID2   Fr= 1--       8.590                  0.275                 -1.104
 Raman3 Fr= 1--       3.756                 20.377                  8.361
 ROA3   Fr= 1--      30.398                 66.129                  0.726
 CID3   Fr= 1--       8.092                  3.245                  0.087
 RC180  Fr= 1--       0.350                  0.276                  0.596
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.01    -0.02   0.03  -0.03    -0.03  -0.02   0.04
     2   6     0.16  -0.11  -0.06     0.11  -0.05   0.04     0.04   0.00   0.03
     3   6     0.01  -0.11   0.04    -0.05   0.27  -0.06    -0.01  -0.02  -0.04
     4   8    -0.04   0.06  -0.00     0.09  -0.11  -0.01    -0.00   0.01   0.00
     5   8     0.01   0.03   0.01     0.01  -0.02   0.01     0.01   0.02  -0.04
     6   7    -0.08   0.05   0.06    -0.05   0.01   0.03    -0.01   0.00  -0.00
     7   8     0.01   0.00  -0.01    -0.06  -0.02   0.03     0.01   0.00   0.01
     8   1     0.13   0.31  -0.08    -0.04  -0.45   0.02    -0.19  -0.34  -0.00
     9   1    -0.12  -0.03  -0.13    -0.29   0.16   0.01     0.61  -0.37  -0.08
    10   1    -0.34   0.21  -0.04    -0.42   0.08  -0.08    -0.35   0.37   0.04
    11   1    -0.06   0.21   0.02     0.12  -0.35   0.02     0.00  -0.01  -0.00
    12   1    -0.13   0.57   0.07     0.00   0.16   0.07     0.03  -0.01   0.02
    13   1     0.12  -0.06  -0.16     0.03   0.06  -0.03    -0.02   0.08   0.02
    14   1     0.13  -0.33  -0.23     0.13  -0.36  -0.22    -0.08   0.19   0.11
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1283.5480              1337.9390              1396.0612
 Red. masses --      1.6478                 1.3218                 1.2687
 Frc consts  --      1.5995                 1.3941                 1.4569
 IR Inten    --     31.7659                 3.2232                29.9582
 RamAct Fr= 1--      1.1913                 7.3611                 1.9131
  Dep-P Fr= 1--      0.2061                 0.7165                 0.4753
  Dep-U Fr= 1--      0.3417                 0.8348                 0.6443
 Alpha2 Fr= 1--      0.0159                 0.0043                 0.0106
 Beta2  Fr= 1--      0.0678                 1.0242                 0.2054
 AlphaG Fr= 1--      0.0052                 0.0011                -0.0129
 Gamma2 Fr= 1--     -0.1996                -0.0455                -0.1219
 Delta2 Fr= 1--     -0.0940                 0.5329                -0.2859
 Raman1 Fr= 1--       4.765                 29.444                  7.652
 ROA1   Fr= 1--     -22.165                 12.682                -20.855
 CID1   Fr= 1--      -4.651                  0.431                 -2.725
 Raman2 Fr= 1--       0.814                 12.291                  2.465
 ROA2   Fr= 1--      -4.037                 -5.356                 -0.639
 CID2   Fr= 1--      -4.959                 -0.436                 -0.259
 Raman3 Fr= 1--       1.628                 24.581                  4.931
 ROA3   Fr= 1--     -22.165                 12.682                -20.855
 CID3   Fr= 1--     -13.611                  0.516                 -4.230
 RC180  Fr= 1--      -0.317                  0.670                  0.289
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.05   0.09     0.02   0.02  -0.05     0.05  -0.01   0.02
     2   6    -0.00  -0.12  -0.11    -0.13  -0.07   0.01     0.04  -0.07   0.07
     3   6    -0.00   0.09   0.02     0.01   0.04   0.03     0.01  -0.01   0.00
     4   8     0.03  -0.02  -0.01     0.01  -0.00  -0.01     0.01   0.03  -0.00
     5   8    -0.02  -0.03  -0.04     0.00   0.02   0.01    -0.01  -0.01  -0.02
     6   7    -0.00   0.01   0.05     0.02   0.00   0.01    -0.00   0.01  -0.07
     7   8    -0.03  -0.01   0.00    -0.02  -0.00  -0.00    -0.03   0.00   0.01
     8   1    -0.19   0.24  -0.17     0.72   0.29   0.17    -0.27   0.59  -0.01
     9   1     0.12  -0.01   0.02     0.40  -0.14   0.08    -0.18   0.09  -0.01
    10   1     0.28  -0.01   0.12    -0.30   0.00  -0.09    -0.31   0.16  -0.01
    11   1     0.06  -0.24  -0.02     0.05  -0.20   0.00     0.07  -0.32   0.02
    12   1    -0.18   0.37  -0.01    -0.06   0.02  -0.03     0.12  -0.32  -0.03
    13   1     0.12  -0.27  -0.13    -0.02  -0.07   0.02    -0.17   0.31   0.15
    14   1    -0.22   0.47   0.33     0.04  -0.09  -0.06    -0.06   0.10   0.08
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1426.5506              1439.6075              1522.2237
 Red. masses --      1.3598                 1.5048                 1.0836
 Frc consts  --      1.6304                 1.8375                 1.4793
 IR Inten    --    260.8110                 6.9666                 2.6525
 RamAct Fr= 1--      3.6650                 2.6036                 5.0747
  Dep-P Fr= 1--      0.0624                 0.6264                 0.7425
  Dep-U Fr= 1--      0.1176                 0.7703                 0.8522
 Alpha2 Fr= 1--      0.0703                 0.0059                 0.0007
 Beta2  Fr= 1--      0.0718                 0.3343                 0.7208
 AlphaG Fr= 1--     -0.0007                 0.0062                 0.0050
 Gamma2 Fr= 1--      0.2618                 0.2718                -0.0906
 Delta2 Fr= 1--      0.0221                -0.4848                -0.1903
 Raman1 Fr= 1--      14.660                 10.415                 20.299
 ROA1   Fr= 1--      25.839                 10.579                -14.788
 CID1   Fr= 1--       1.763                  1.016                 -0.729
 Raman2 Fr= 1--       0.862                  4.011                  8.649
 ROA2   Fr= 1--       6.106                 10.401                 -0.653
 CID2   Fr= 1--       7.086                  2.593                 -0.075
 Raman3 Fr= 1--       1.723                  8.022                 17.299
 ROA3   Fr= 1--      25.839                 10.579                -14.788
 CID3   Fr= 1--      14.994                  1.319                 -0.855
 RC180  Fr= 1--      -0.765                  0.541                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.00   0.02    -0.14   0.04  -0.04    -0.02  -0.05  -0.06
     2   6    -0.01  -0.05   0.02     0.07  -0.08   0.03    -0.01  -0.01  -0.00
     3   6    -0.02   0.10   0.01    -0.01   0.06  -0.00    -0.01   0.01   0.00
     4   8    -0.02  -0.09   0.01     0.00  -0.03   0.00     0.00  -0.00   0.00
     5   8    -0.00  -0.01  -0.02     0.01   0.03   0.04     0.00  -0.01  -0.01
     6   7     0.00   0.00  -0.01    -0.01   0.01  -0.03    -0.00   0.00   0.00
     7   8     0.05  -0.02  -0.01    -0.00  -0.01   0.00     0.01  -0.00  -0.00
     8   1     0.02   0.19   0.02    -0.23   0.33  -0.04     0.04   0.01   0.01
     9   1    -0.05   0.01  -0.06     0.47  -0.24   0.07    -0.03   0.16   0.69
    10   1    -0.21   0.04  -0.01     0.53  -0.26   0.02     0.24   0.65   0.05
    11   1    -0.19   0.89  -0.01    -0.01   0.09  -0.00    -0.01   0.05  -0.00
    12   1     0.01  -0.07  -0.01     0.07  -0.14   0.00     0.00   0.01   0.00
    13   1    -0.05   0.06   0.04    -0.05   0.16   0.05     0.00  -0.00  -0.00
    14   1    -0.05   0.18   0.09     0.12  -0.25  -0.17     0.00   0.01  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1681.7202              1830.5424              3013.8551
 Red. masses --      1.0843                 9.2152                 1.0662
 Frc consts  --      1.8068                18.1935                 5.7060
 IR Inten    --     23.5558               315.4206                22.1728
 RamAct Fr= 1--      2.0928                17.7081               164.6102
  Dep-P Fr= 1--      0.5969                 0.3260                 0.1063
  Dep-U Fr= 1--      0.7476                 0.4917                 0.1922
 Alpha2 Fr= 1--      0.0059                 0.1678                 2.8376
 Beta2  Fr= 1--      0.2608                 1.4512                 5.2743
 AlphaG Fr= 1--     -0.0052                -0.1550                 0.3653
 Gamma2 Fr= 1--     -0.1200                -0.2770                -3.8792
 Delta2 Fr= 1--      0.1630                -0.1880                -3.8935
 Raman1 Fr= 1--       8.371                 70.832                658.441
 ROA1   Fr= 1--      -6.307                -32.611               -496.993
 CID1   Fr= 1--      -0.753                 -0.460                 -0.755
 Raman2 Fr= 1--       3.129                 17.414                 63.292
 ROA2   Fr= 1--      -4.186                 -5.145                -61.952
 CID2   Fr= 1--      -1.338                 -0.295                 -0.979
 Raman3 Fr= 1--       6.258                 34.828                126.584
 ROA3   Fr= 1--      -6.307                -32.611               -496.993
 CID3   Fr= 1--      -1.008                 -0.936                 -3.926
 RC180  Fr= 1--       0.495                 -0.017                 -0.616
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.00    -0.01  -0.01  -0.00    -0.00  -0.01  -0.07
     2   6    -0.02  -0.02   0.00    -0.03  -0.01   0.01    -0.00   0.00   0.03
     3   6    -0.00   0.00   0.00     0.67   0.01  -0.18     0.00   0.00   0.00
     4   8    -0.00   0.00  -0.00    -0.05  -0.03   0.01     0.00  -0.00  -0.00
     5   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     6   7    -0.06   0.04   0.01    -0.01   0.01   0.00    -0.00   0.00  -0.00
     7   8     0.00   0.00  -0.00    -0.42  -0.01   0.11    -0.00  -0.00   0.00
     8   1    -0.00   0.04   0.01    -0.04  -0.09  -0.00     0.07  -0.01  -0.31
     9   1     0.01   0.00   0.00    -0.00  -0.02   0.02     0.13   0.27  -0.09
    10   1    -0.02   0.00   0.00     0.03   0.03   0.00    -0.12  -0.08   0.88
    11   1     0.00  -0.01   0.00    -0.09   0.54  -0.00    -0.01   0.00   0.00
    12   1     0.57  -0.31   0.30     0.04   0.03   0.03    -0.00  -0.00   0.00
    13   1     0.44  -0.17  -0.50     0.03   0.03  -0.03     0.00   0.00   0.00
    14   1    -0.01   0.01   0.01     0.01   0.03   0.01     0.00  -0.01  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3036.4771              3086.1292              3493.2685
 Red. masses --      1.0800                 1.1019                 1.0520
 Frc consts  --      5.8668                 6.1836                 7.5635
 IR Inten    --     22.2558                23.0926                 5.6710
 RamAct Fr= 1--     38.2068                90.3844                95.9475
  Dep-P Fr= 1--      0.4043                 0.3802                 0.0624
  Dep-U Fr= 1--      0.5758                 0.5509                 0.1175
 Alpha2 Fr= 1--      0.2787                 0.7176                 1.8400
 Beta2  Fr= 1--      3.6664                 8.2992                 1.8785
 AlphaG Fr= 1--      0.0796                 0.2438                 0.0177
 Gamma2 Fr= 1--      0.5140                 3.9612                -0.2663
 Delta2 Fr= 1--     -2.1056                 4.3865                -0.9112
 Raman1 Fr= 1--     152.827                361.538                383.790
 ROA1   Fr= 1--     -18.033                520.640                -54.720
 CID1   Fr= 1--      -0.118                  1.440                 -0.143
 Raman2 Fr= 1--      43.996                 99.590                 22.542
 ROA2   Fr= 1--      29.181                 59.976                  0.899
 CID2   Fr= 1--       0.663                  0.602                  0.040
 Raman3 Fr= 1--      87.993                199.181                 45.083
 ROA3   Fr= 1--     -18.033                520.640                -54.720
 CID3   Fr= 1--      -0.205                  2.614                 -1.214
 RC180  Fr= 1--       0.152                  0.102                 -0.765
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02    -0.04  -0.07   0.05    -0.00  -0.00  -0.00
     2   6     0.02  -0.00  -0.08    -0.00  -0.00   0.01     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   7    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.05  -0.00  -0.03
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.18   0.02   0.92     0.02  -0.00  -0.12    -0.00   0.00   0.01
     9   1     0.10   0.20  -0.06     0.40   0.81  -0.21     0.00   0.00  -0.00
    10   1    -0.03  -0.03   0.26     0.03   0.02  -0.35     0.00  -0.00   0.00
    11   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.02  -0.00   0.00
    12   1     0.01   0.01  -0.02     0.00  -0.00   0.00    -0.39  -0.06   0.76
    13   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.34   0.08  -0.38
    14   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3516.6006              3562.2513              3820.1123
 Red. masses --      1.0670                 1.0892                 1.0667
 Frc consts  --      7.7740                 8.1431                 9.1715
 IR Inten    --    357.2883                 8.5247                56.3317
 RamAct Fr= 1--     76.2374                58.3416               134.8499
  Dep-P Fr= 1--      0.1429                 0.5431                 0.2234
  Dep-U Fr= 1--      0.2501                 0.7039                 0.3652
 Alpha2 Fr= 1--      1.1998                 0.2318                 1.7201
 Beta2  Fr= 1--      3.1778                 6.8446                 8.2068
 AlphaG Fr= 1--     -0.0518                 0.3844                -0.3188
 Gamma2 Fr= 1--      1.1986                -1.9653                -0.2857
 Delta2 Fr= 1--     -1.1703                 0.1939                 1.9563
 Raman1 Fr= 1--     304.950                233.366                539.400
 ROA1   Fr= 1--      77.614               -182.461                 35.170
 CID1   Fr= 1--       0.255                 -0.782                  0.065
 Raman2 Fr= 1--      38.134                 82.135                 98.481
 ROA2   Fr= 1--      38.129                -48.717                -22.508
 CID2   Fr= 1--       1.000                 -0.593                 -0.229
 Raman3 Fr= 1--      76.268                164.270                196.962
 ROA3   Fr= 1--      77.614               -182.461                 35.170
 CID3   Fr= 1--       1.018                 -1.111                  0.179
 RC180  Fr= 1--      -0.500                  0.408                 -0.270
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   8    -0.06  -0.01   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.05   0.01  -0.04
     6   7     0.00  -0.00  -0.00    -0.02   0.01  -0.07     0.00  -0.00  -0.00
     7   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00    -0.00   0.00   0.01     0.00   0.00   0.00
     9   1    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   1    -0.00   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   1     0.97   0.16  -0.16    -0.02  -0.00   0.00    -0.02  -0.00   0.00
    12   1    -0.01  -0.00   0.02    -0.26  -0.05   0.44    -0.00   0.00   0.00
    13   1     0.00   0.00   0.00     0.60  -0.12   0.60     0.00  -0.00   0.00
    14   1     0.02   0.00   0.01    -0.00   0.00  -0.00     0.81  -0.10   0.57

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   527.21772 721.620721173.27663
           X            0.99727  -0.07214   0.01583
           Y            0.07211   0.99739   0.00201
           Z           -0.01594  -0.00087   0.99987
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16428     0.12003     0.07382
 Rotational constants (GHZ):           3.42314     2.50096     1.53821
 Zero-point vibrational energy     296660.6 (Joules/Mol)
                                   70.90358 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     69.01   139.32   218.01   379.35   420.69
          (Kelvin)            449.56   500.01   600.85   771.18   881.34
                             1057.71  1096.42  1170.51  1292.79  1425.96
                             1479.52  1520.32  1661.82  1695.71  1748.90
                             1781.01  1846.74  1925.00  2008.62  2052.49
                             2071.27  2190.14  2419.62  2633.74  4336.27
                             4368.81  4440.25  5026.03  5059.60  5125.29
                             5496.29
 
 Zero-point correction=                           0.112992 (Hartree/Particle)
 Thermal correction to Energy=                    0.120893
 Thermal correction to Enthalpy=                  0.121838
 Thermal correction to Gibbs Free Energy=         0.080291
 Sum of electronic and zero-point Energies=           -399.037696
 Sum of electronic and thermal Energies=              -399.029794
 Sum of electronic and thermal Enthalpies=            -399.028850
 Sum of electronic and thermal Free Energies=         -399.070397
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   75.862             27.267             87.443
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.592
 Vibrational             74.084             21.306             19.986
 Vibration     1          0.595              1.978              4.899
 Vibration     2          0.603              1.951              3.517
 Vibration     3          0.619              1.901              2.653
 Vibration     4          0.670              1.740              1.637
 Vibration     5          0.688              1.688              1.460
 Vibration     6          0.701              1.650              1.349
 Vibration     7          0.725              1.580              1.177
 Vibration     8          0.781              1.432              0.900
 Vibration     9          0.891              1.170              0.574
 Vibration    10          0.972              1.005              0.429
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.117181D-36        -36.931141        -85.037096
 Total V=0       0.110038D+16         15.041545         34.634436
 Vib (Bot)       0.115787D-49        -49.936339       -114.982669
 Vib (Bot)    1  0.431053D+01          0.634531          1.461061
 Vib (Bot)    2  0.212068D+01          0.326474          0.751735
 Vib (Bot)    3  0.133763D+01          0.126335          0.290896
 Vib (Bot)    4  0.735346D+00         -0.133508         -0.307414
 Vib (Bot)    5  0.653175D+00         -0.184970         -0.425910
 Vib (Bot)    6  0.604309D+00         -0.218741         -0.503669
 Vib (Bot)    7  0.531747D+00         -0.274295         -0.631588
 Vib (Bot)    8  0.421229D+00         -0.375482         -0.864579
 Vib (Bot)    9  0.296705D+00         -0.527676         -1.215018
 Vib (Bot)   10  0.240610D+00         -0.618686         -1.424578
 Vib (V=0)       0.108729D+03          2.036347          4.688863
 Vib (V=0)    1  0.483943D+01          0.684794          1.576797
 Vib (V=0)    2  0.267882D+01          0.427944          0.985378
 Vib (V=0)    3  0.192802D+01          0.285112          0.656494
 Vib (V=0)    4  0.138923D+01          0.142775          0.328751
 Vib (V=0)    5  0.132258D+01          0.121422          0.279584
 Vib (V=0)    6  0.128434D+01          0.108680          0.250245
 Vib (V=0)    7  0.122990D+01          0.089870          0.206933
 Vib (V=0)    8  0.115378D+01          0.062125          0.143047
 Vib (V=0)    9  0.108141D+01          0.033989          0.078263
 Vib (V=0)   10  0.105488D+01          0.023204          0.053428
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.239164D+06          5.378695         12.384904
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        333             333                                       1    1    1 111 1 11111  11                                  
     8        554             000                                       8    6    5 443 3 22211  00 9  8 8 77   6  5   4 3322  1     
     2        619             831                                       3    8    2 429 3 83175  52 9  9 1 63   1  3   1 4196  5 9 4 
     0        273             664                                       1    2    2 076 8 48695  78 1  9 4 25   3  6   8 8224  2 7 8 
 
     X        XXX             XXX                                       X    X    X XXX X XXXXX  XX X  X X XX   X  X   X XXXX  X X X 
     X         X                                                        X            XX   X XX    X    X   X              XX       X 
     X         X                                                        X            X      XX    X    X   X               X         
               X                                                        X            X            X    X   X               X         
               X                                                        X            X            X    X                   X         
               X                                                        X            X            X    X                             
               X                                                        X            X                 X                             
               X                                                        X            X                 X                             
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X                                                            
               X                                                        X                                                            
               X                                                        X                                                            
               X                                                                                                                     
               X                                                                                                                     
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000015251    0.000001104    0.000009506
      2        6          -0.000001430    0.000022009   -0.000005280
      3        6           0.000028584   -0.000015838    0.000000386
      4        8          -0.000005131    0.000007491    0.000005994
      5        8           0.000017740   -0.000016905   -0.000010023
      6        7          -0.000011560   -0.000009771   -0.000002763
      7        8          -0.000008676    0.000004067   -0.000000953
      8        1           0.000009765   -0.000007526    0.000002065
      9        1          -0.000000072   -0.000002701   -0.000001350
     10        1           0.000002505   -0.000000890   -0.000001754
     11        1          -0.000011826    0.000012013   -0.000001744
     12        1          -0.000002259    0.000003945    0.000002929
     13        1          -0.000002064    0.000004448   -0.000000436
     14        1          -0.000000325   -0.000001446    0.000003424
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000028584 RMS     0.000009239
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.705651D+02 -0.202114D+01 -0.998451D+00
      2  -0.202114D+01  0.646681D+02  0.681398D+00
      3  -0.998451D+00  0.681398D+00  0.493190D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.391669D+01 -0.202835D+01 -0.174948D+02
      2   0.541147D+01  0.150068D+01  0.394663D+01
      3   0.108404D+02  0.108746D+00  0.171352D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.276291D+01 -0.245791D+02  0.944265D+01
      2   0.808567D+00  0.393766D+02 -0.827093D+01
      3  -0.357148D+01 -0.147976D+02 -0.117172D+01
      4   0.165087D+02  0.298574D+01  0.804709D+01
      5   0.132502D+02  0.411199D+01  0.798641D+01
      6   0.734171D+01 -0.129981D+01  0.320775D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.277707D+01  0.108308D+01  0.167407D+01  0.757382D+00 -0.514271D+01
      2   0.108308D+01 -0.277675D+01  0.327715D+00 -0.514271D+01 -0.399798D+01
      3   0.167407D+01  0.327715D+00  0.175753D+01 -0.630706D-01  0.109267D+01
                 6             7             8             9            10 
      1  -0.630706D-01  0.286706D+01  0.138986D+00  0.985889D+00 -0.462079D+01
      2   0.109267D+01  0.138986D+00  0.233398D+01 -0.401344D+00  0.344164D+00
      3   0.970468D-01  0.985889D+00 -0.401344D+00 -0.744235D+01 -0.983096D+00
                11            12            13            14            15 
      1   0.344164D+00 -0.983096D+00 -0.146569D+01  0.352796D+01  0.327087D+00
      2   0.418713D+01  0.866136D-01  0.352796D+01  0.448704D+01 -0.438926D-02
      3   0.866136D-01 -0.195335D+01  0.327087D+00 -0.438926D-02  0.621152D+00
                16            17            18            19            20 
      1  -0.142350D+01 -0.314719D-01 -0.188163D+01  0.814487D+01  0.474880D+00
      2  -0.314719D-01 -0.157255D+01  0.112103D+00  0.474880D+00 -0.215739D+01
      3  -0.188163D+01  0.112103D+00  0.702709D+01 -0.151733D+01 -0.584322D+00
                21            22            23            24            25 
      1  -0.151733D+01 -0.223798D+00 -0.359841D+01 -0.328318D+00 -0.207394D+01
      2  -0.584322D+00 -0.359841D+01 -0.248113D+01  0.381293D+00 -0.390985D+00
      3   0.970554D+00 -0.328318D+00  0.381293D+00 -0.714429D+00  0.811057D+00
                26            27            28            29            30 
      1  -0.390985D+00  0.811057D+00 -0.528423D+01 -0.303970D+01  0.362472D+00
      2   0.597160D+00 -0.414950D+00 -0.303970D+01 -0.433093D+00 -0.111390D+00
      3  -0.414950D+00 -0.121880D+01  0.362472D+00 -0.111390D+00  0.367528D-01
                31            32            33            34            35 
      1  -0.106218D+01  0.205879D+01 -0.107244D+00  0.100140D+01  0.268992D-01
      2   0.205879D+01 -0.831460D+01 -0.601785D+00  0.268992D-01  0.174184D+00
      3  -0.107244D+00 -0.601785D+00 -0.104634D+01  0.495286D+00 -0.196768D+01
                36            37            38            39            40 
      1   0.495286D+00 -0.288346D+01 -0.112981D+01 -0.290865D+01 -0.188998D+01
      2  -0.196768D+01 -0.112981D+01 -0.232530D+00  0.454431D+00  0.201337D+01
      3  -0.271290D+00 -0.290865D+01  0.454431D+00 -0.108188D+01  0.377988D+00
                41            42            43            44            45 
      1   0.201337D+01  0.377988D+00 -0.571510D+01  0.131327D+01 -0.385180D+00
      2  -0.215804D+01 -0.908536D+00  0.131327D+01 -0.163419D+01 -0.560619D+00
      3  -0.908536D+00 -0.168466D-01 -0.385180D+00 -0.560619D+00 -0.153293D+01
                46            47            48            49            50 
      1   0.352296D+01 -0.760304D+00  0.107002D+01 -0.587056D-01 -0.196718D+01
      2  -0.760304D+00 -0.943994D+00 -0.263352D+00 -0.196718D+01  0.437681D+01
      3   0.107002D+01 -0.263352D+00  0.380583D+01 -0.749999D+00  0.615510D-01
                51            52            53            54            55 
      1  -0.749999D+00  0.163871D+01 -0.678052D+00  0.382086D+01 -0.147332D+02
      2   0.615510D-01 -0.678052D+00 -0.110584D+00  0.716601D+00 -0.105362D+01
      3   0.415821D+00  0.382086D+01  0.716601D+00 -0.187292D+01  0.180031D+01
                56            57            58            59            60 
      1  -0.105362D+01  0.180031D+01 -0.112006D+01 -0.213216D+01  0.289188D+00
      2  -0.308231D+01  0.289392D+00 -0.213216D+01  0.105931D+00  0.470661D+00
      3   0.289392D+00 -0.243611D+01  0.289188D+00  0.470661D+00  0.255439D+00
                61            62            63            64            65 
      1   0.250319D+01  0.445539D+00 -0.357214D+01  0.168263D+01  0.307856D+00
      2   0.445539D+00  0.952083D+00 -0.306121D+00  0.307856D+00 -0.389262D+00
      3  -0.357214D+01 -0.306121D+00  0.217926D+01 -0.104411D+01 -0.340290D-01
                66            67            68            69            70 
      1  -0.104411D+01  0.168581D+00 -0.364751D+00 -0.554475D-01 -0.174521D+01
      2  -0.340290D-01 -0.364751D+00  0.978619D-01 -0.117284D+01  0.128953D-01
      3   0.151094D+01 -0.554475D-01 -0.117284D+01 -0.329667D-01  0.116588D+01
                71            72            73            74            75 
      1   0.128953D-01  0.116588D+01  0.237448D+01  0.213727D+01 -0.504331D+00
      2  -0.157076D+01  0.454398D+00  0.213727D+01  0.262967D+01 -0.153731D+00
      3   0.454398D+00 -0.865726D+01 -0.504331D+00 -0.153731D+00  0.417700D+00
                76            77            78            79            80 
      1   0.320223D+01  0.331394D+01 -0.560952D-03 -0.120482D+01 -0.434737D+00
      2   0.331394D+01  0.742924D+01 -0.490920D+00 -0.434737D+00 -0.148181D+01
      3  -0.560952D-03 -0.490920D+00  0.875691D+00  0.584546D+00  0.117875D+01
                81            82            83            84            85 
      1   0.584546D+00 -0.601093D+00  0.171210D+00  0.928072D+00 -0.222022D+00
      2   0.117875D+01  0.171210D+00  0.230952D+00 -0.223779D+00  0.470339D+00
      3   0.295038D+00  0.928072D+00 -0.223779D+00 -0.119778D+01 -0.345473D-01
                86            87            88            89            90 
      1   0.470339D+00 -0.345473D-01  0.166713D+01 -0.249534D+00  0.405109D+00
      2   0.419671D+00  0.102442D+01 -0.249534D+00  0.113872D+01  0.706985D+00
      3   0.102442D+01 -0.272015D+00  0.405109D+00  0.706985D+00  0.887303D+01
                91            92            93            94            95 
      1   0.736964D+01  0.777768D+00 -0.193605D+00  0.988410D+00  0.126824D+01
      2   0.777768D+00  0.310721D+01  0.251270D+00  0.126824D+01 -0.996297D+00
      3  -0.193605D+00  0.251270D+00  0.720709D+00  0.164556D+00 -0.117421D+00
                96            97            98            99           100 
      1   0.164556D+00 -0.835772D+00  0.177990D+00  0.487553D+00 -0.204404D+01
      2  -0.117421D+00  0.177990D+00 -0.332295D+00 -0.641083D+00  0.810103D+00
      3  -0.535902D+00  0.487553D+00 -0.641083D+00 -0.475936D+00  0.150952D+01
               101           102           103           104           105 
      1   0.810103D+00  0.150952D+01  0.545643D+00 -0.443370D-01 -0.194080D+00
      2  -0.721503D+00 -0.472477D+00 -0.443370D-01  0.631839D+00  0.159723D+00
      3  -0.472477D+00 -0.212217D+01 -0.194080D+00  0.159723D+00 -0.166043D+00
               106           107           108           109           110 
      1   0.262195D+01 -0.545595D+00 -0.242458D+01 -0.468668D+01  0.190594D+01
      2  -0.545595D+00  0.184478D+01  0.681292D+00  0.190594D+01 -0.104457D+01
      3  -0.242458D+01  0.681292D+00  0.468138D+01 -0.230521D+01  0.848637D+00
               111           112           113           114           115 
      1  -0.230521D+01  0.191824D+01 -0.610918D+00  0.776930D+00 -0.376952D+01
      2   0.848637D+00 -0.610918D+00  0.152793D+01 -0.297471D+00  0.115291D+01
      3  -0.222339D+01  0.776930D+00 -0.297471D+00  0.799392D+00 -0.272437D+01
               116           117           118           119           120 
      1   0.115291D+01 -0.272437D+01  0.898186D+01 -0.202883D+01  0.211188D+01
      2  -0.138276D+01  0.992907D+00 -0.202883D+01  0.162644D+01 -0.414979D+00
      3   0.992907D+00 -0.293989D+01  0.211188D+01 -0.414979D+00  0.179465D+01
               121           122           123           124           125 
      1  -0.153804D+01  0.120783D+01 -0.402481D+00  0.446841D+01 -0.938119D+00
      2   0.120783D+01 -0.112827D+01  0.403048D+00 -0.938119D+00  0.104406D+01
      3  -0.402481D+00  0.403048D+00 -0.279997D+00  0.223172D+01 -0.551242D+00
               126 
      1   0.223172D+01
      2  -0.551242D+00
      3   0.135558D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.256090D+01 -0.328396D+01 -0.333193D+01 -0.402000D+01 -0.291236D+01
      2   0.488142D+01  0.446963D+00  0.278881D+01 -0.129493D+01  0.361834D+01
      3   0.314964D+01  0.629235D+01  0.107136D+01  0.828569D+01 -0.396688D+01
                 6             7             8             9            10 
      1   0.384621D-01 -0.173945D+01  0.302968D+01  0.800710D+01  0.272391D+01
      2   0.143170D+01 -0.224633D+01 -0.844648D+00 -0.812679D+01 -0.153913D+01
      3  -0.825507D+00  0.305803D+01 -0.245390D+01  0.199151D+01 -0.974736D+00
                11            12            13            14            15 
      1  -0.178677D+01 -0.272847D+00 -0.231594D+01 -0.274234D+01 -0.242712D+01
      2  -0.219303D+00  0.122068D+01 -0.300430D-01  0.683388D+00  0.172072D+01
      3  -0.384002D+01 -0.101085D+01  0.658530D+00  0.190665D+01  0.108009D+01
                16            17            18            19            20 
      1   0.165544D+01  0.492133D+01 -0.283384D+01 -0.204168D+01  0.872643D+01
      2  -0.476942D+01 -0.688306D+00  0.742982D-01 -0.258144D+01 -0.181448D+01
      3  -0.177808D+01  0.201278D+00 -0.146179D+01 -0.572232D+01  0.205933D+01
                21            22            23            24            25 
      1   0.355062D-01  0.334347D+01  0.519345D+01  0.577754D+01  0.317920D+01
      2  -0.940741D+01 -0.186723D+01 -0.867341D+00  0.603286D+00 -0.122399D+02
      3   0.138292D+01  0.256896D+01  0.900690D+00 -0.202689D+01  0.252605D+01
                26            27            28            29            30 
      1   0.176961D+02 -0.141818D+01  0.147869D+01 -0.196038D+01 -0.801675D-01
      2  -0.432491D+01  0.518248D+01 -0.217632D+01 -0.216560D+00  0.355469D+01
      3  -0.585308D+01 -0.645408D+00  0.172853D+02  0.268915D+01 -0.871848D+00
                31            32            33            34            35 
      1   0.237637D+00  0.105856D+01 -0.801679D+01 -0.894959D+00 -0.412974D+01
      2  -0.424453D+00  0.119291D+00 -0.196253D+01 -0.211214D+01  0.271646D+01
      3   0.122805D+02 -0.145179D+01 -0.602165D-01 -0.326152D+01  0.899914D+00
                36            37            38            39            40 
      1   0.338295D+00 -0.285647D+01  0.628969D+00  0.119890D+01  0.160492D+01
      2  -0.462375D+00 -0.913977D+01  0.299954D+01  0.101158D+01  0.264456D+01
      3  -0.148540D+01  0.651783D+01 -0.798967D+01 -0.238269D-02  0.281338D+00
                41            42            43            44            45 
      1  -0.125770D+01 -0.441129D+01 -0.144269D+01  0.344331D+01 -0.214267D+01
      2  -0.291081D+01 -0.127803D+01 -0.622927D+01  0.153057D+00 -0.580107D+01
      3   0.783730D+01  0.188339D+01 -0.105273D+00  0.534358D+01  0.158166D+01
                46            47            48            49            50 
      1  -0.270517D+01  0.141616D+01 -0.849413D+01  0.282893D+01 -0.188491D+01
      2  -0.160166D+01  0.164057D+01 -0.382203D+00  0.968386D+00 -0.115990D+01
      3   0.952701D+01 -0.646528D+01  0.169885D+01  0.473022D+01 -0.762857D+00
                51            52            53            54            55 
      1  -0.591832D+01 -0.108321D+02  0.224631D+01  0.332339D+01  0.263983D+01
      2  -0.833000D+00 -0.715148D+01  0.272281D+01  0.105416D+01 -0.106863D+01
      3  -0.166079D+01  0.265993D+01 -0.236103D+01  0.105389D+02  0.980808D+01
                56            57            58            59            60 
      1  -0.373694D+01 -0.205563D+01 -0.690448D+00 -0.172633D+00 -0.388602D+01
      2  -0.179648D+00  0.126396D+02  0.104316D+01 -0.502234D+00  0.140909D+01
      3  -0.137370D+02 -0.111205D+01  0.883166D+00  0.137754D+01  0.809284D+00
                61            62            63            64            65 
      1  -0.420859D+01 -0.784238D+00  0.219894D+01  0.509000D+00 -0.329222D-01
      2   0.178067D+01  0.195857D+01 -0.432671D+01  0.131809D+01  0.329939D+00
      3  -0.102843D+01  0.446265D+01  0.296447D+01  0.130669D+01 -0.675909D+00
                66            67            68            69            70 
      1  -0.783792D+00  0.511302D+00  0.742660D+00 -0.202343D+00 -0.131662D+01
      2   0.820655D+00 -0.302566D+00 -0.199150D+00 -0.147666D+00 -0.276400D+01
      3  -0.592608D+00  0.151668D+01 -0.390696D+00 -0.324032D+00 -0.892131D+00
                71            72            73            74            75 
      1   0.232641D+01  0.523033D+01  0.156156D+01  0.136615D+01 -0.121891D+01
      2   0.478450D+00 -0.576754D-01 -0.101326D+01 -0.103959D+01  0.177778D+01
      3   0.690694D+00  0.362405D+00  0.400609D+00 -0.281025D+01 -0.405727D+00
                76            77            78            79            80 
      1   0.993795D+00  0.316661D+01 -0.363313D+01 -0.539048D+00 -0.112164D+01
      2  -0.488117D+00 -0.141121D+01  0.211461D+01 -0.199701D-01  0.148099D+01
      3   0.311537D+01 -0.751378D+01  0.853114D+00 -0.179805D+01  0.169469D+01
                81            82            83            84            85 
      1   0.245953D+00 -0.895731D+00 -0.567522D-01  0.881908D+00  0.272566D+00
      2  -0.122866D+00  0.205670D+01 -0.510616D+00 -0.913312D+00  0.258381D+00
      3  -0.814130D+00 -0.138085D+01 -0.795601D+00  0.964441D+00  0.345802D+00
                86            87            88            89            90 
      1  -0.780218D+00  0.263343D+00 -0.364884D+00  0.318779D+01 -0.839311D+01
      2   0.104809D+01 -0.267289D+00 -0.412870D+01  0.151616D+01  0.113147D+02
      3   0.335540D+00 -0.108645D+01  0.181533D+01 -0.156061D+01 -0.112965D+01
                91            92            93            94            95 
      1  -0.132769D+01 -0.274623D+00  0.228488D+01  0.633784D-02 -0.261774D-01
      2   0.328829D+01  0.101233D+01 -0.889810D+00  0.851427D+00  0.278327D+00
      3  -0.237227D+02 -0.311959D+01  0.401224D+00 -0.367292D+01 -0.808058D+00
                96            97            98            99           100 
      1   0.153336D+00  0.178461D+01  0.640491D+00 -0.490138D+00 -0.358224D+01
      2  -0.115508D+01 -0.247443D+01 -0.349109D+00 -0.359839D+00 -0.725247D+00
      3  -0.311256D+00  0.185120D+01 -0.303882D+00 -0.634954D+00 -0.411564D+01
               101           102           103           104           105 
      1   0.171481D+00  0.533500D+01  0.295155D+00 -0.126318D+01  0.368450D-01
      2   0.893202D+00  0.315429D+01  0.765028D+00  0.451149D+00  0.418130D-01
      3  -0.690415D+00  0.324015D+01  0.687042D+00 -0.489291D+00 -0.265022D+00
               106           107           108           109           110 
      1   0.646161D+01  0.775000D+00 -0.105120D+02  0.488801D+01 -0.106214D+01
      2   0.741782D+00 -0.122117D+01 -0.481443D+01  0.916905D+00 -0.109583D+01
      3   0.596802D+01  0.116532D+01 -0.554063D+01 -0.942145D+01  0.953361D+00
               111           112           113           114           115 
      1   0.527549D+01 -0.207730D+01  0.387007D+00 -0.169492D+01  0.587991D+01
      2   0.316524D+01 -0.710852D+00 -0.953659D-01 -0.774717D+00  0.934561D+00
      3  -0.457565D+01  0.399466D+01 -0.295469D+00  0.188537D+01 -0.791058D+01
               116           117           118           119           120 
      1  -0.270560D+00  0.596828D+01  0.216888D+01 -0.114709D+00  0.122573D+01
      2  -0.967191D+00  0.275657D+01  0.688517D+01 -0.190585D+01  0.611862D+01
      3   0.661621D+00 -0.565950D+01 -0.164715D+01 -0.420387D+01 -0.528605D+00
               121           122           123           124           125 
      1  -0.491556D+00  0.150565D+00 -0.738839D+00  0.136727D+01  0.373192D+00
      2  -0.141275D+01  0.947424D+00 -0.902890D+00  0.539549D+01 -0.162039D+01
      3  -0.391951D+00  0.231034D+01 -0.449844D+00 -0.110450D+01 -0.258725D+01
               126 
      1   0.818389D+00
      2   0.418828D+01
      3  -0.674597D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.188192D+01  0.475645D+00  0.104751D+01  0.126648D+02 -0.533818D+01
      2  -0.260935D+01 -0.170017D+01 -0.362015D+01 -0.162891D+02 -0.112440D+02
      3   0.449127D+01  0.122453D+01  0.257264D+01  0.362429D+01  0.165822D+02
      4   0.440185D+01 -0.113592D+02  0.488556D+01 -0.183151D+02 -0.209434D+02
      5   0.841778D+01  0.904975D+00  0.176267D+01 -0.356638D+01  0.293909D+01
      6   0.407799D+01  0.132090D+01  0.603024D+01  0.288958D+00 -0.498885D+00
                 6             7             8             9            10 
      1  -0.111963D+01  0.576137D+01 -0.139489D-01  0.130158D+02 -0.501181D+01
      2   0.422851D+01 -0.224696D+01  0.318565D+01  0.673834D+01  0.676757D+01
      3  -0.310888D+01 -0.351441D+01 -0.317170D+01 -0.197541D+02 -0.175577D+01
      4   0.322995D+01  0.266696D+01  0.622260D+01  0.114408D+00  0.788118D+00
      5   0.392630D+01  0.292439D+01  0.262799D+00 -0.137795D+02 -0.340944D+01
      6  -0.168106D+01  0.288708D+01  0.119207D+01 -0.947762D+01 -0.353560D+01
                11            12            13            14            15 
      1  -0.820083D+01 -0.338623D+01  0.112886D+01  0.294121D+01  0.776237D+00
      2   0.153904D+02  0.108856D+01  0.306929D+01 -0.283730D+01  0.584699D+00
      3  -0.718961D+01  0.229767D+01 -0.419816D+01 -0.103908D+00 -0.136094D+01
      4  -0.112503D+01 -0.317683D+01 -0.832378D+00  0.504651D+01  0.313399D+00
      5  -0.952548D+00 -0.211840D+01  0.105531D+01  0.971004D+00  0.300495D+01
      6  -0.645132D+00  0.736235D-01  0.813759D+00  0.215521D+01 -0.554204D+00
                16            17            18            19            20 
      1  -0.558898D+01  0.142517D+01  0.888251D+01 -0.329203D+02 -0.101659D+02
      2  -0.103516D+01 -0.631137D+01  0.804550D+01  0.181225D+02  0.851407D+01
      3   0.662414D+01  0.488620D+01 -0.169280D+02  0.147978D+02  0.165179D+01
      4  -0.388391D+01 -0.160058D+01 -0.410770D+01 -0.128239D+02 -0.146390D+02
      5  -0.282483D+00 -0.195028D+01  0.544338D+01  0.617003D+01  0.523662D+00
      6  -0.458808D+01  0.301040D+00  0.790974D+01  0.301913D+01  0.204670D+01
                21            22            23            24            25 
      1   0.385134D+00 -0.170270D+01  0.108862D+02  0.736404D+00  0.878577D+01
      2  -0.500613D+01  0.311986D+01 -0.155603D+02 -0.214169D+01 -0.574197D+01
      3   0.462099D+01 -0.141716D+01  0.467411D+01  0.140529D+01 -0.304381D+01
      4   0.274940D+01 -0.236531D+01  0.846929D+01 -0.175038D+01  0.562031D+01
      5  -0.142405D+02 -0.973697D+00 -0.195853D+01  0.228403D+01  0.183127D+01
      6   0.205650D+01 -0.173199D+01 -0.433173D+01 -0.734087D+01 -0.149604D+01
                26            27            28            29            30 
      1  -0.755030D+00 -0.746444D+01 -0.272734D+01 -0.587854D+00 -0.116300D+01
      2   0.971952D-01 -0.366745D+01  0.754970D+01 -0.463997D+00  0.114377D+01
      3   0.657835D+00  0.111319D+02 -0.482236D+01  0.105185D+01  0.192274D-01
      4   0.581119D+01 -0.732418D+00  0.627576D+01  0.165315D+02 -0.887289D+00
      5  -0.127290D+01  0.758325D+01 -0.782314D+00 -0.844888D-03  0.636838D+01
      6   0.205188D+01  0.173078D+01 -0.201449D+01 -0.327797D+00 -0.154851D+01
                31            32            33            34            35 
      1  -0.648534D+00 -0.296811D+02 -0.206435D+01  0.161351D+00  0.156558D+00
      2  -0.216494D+01  0.428132D+02  0.177242D+01  0.723919D+00  0.261963D+00
      3   0.281347D+01 -0.131321D+02  0.291935D+00 -0.885269D+00 -0.418521D+00
      4   0.106931D+02 -0.720342D+00  0.159913D+01 -0.189807D+01 -0.871420D+00
      5   0.720367D+00  0.177830D+01 -0.204077D+01  0.335681D+01  0.151775D+01
      6   0.122795D+01  0.493929D+01  0.152067D+02 -0.195639D+01  0.133269D+02
                36            37            38            39            40 
      1  -0.870414D+01 -0.637864D+01  0.934411D+00 -0.135995D+02 -0.803509D+01
      2   0.530060D+01  0.267016D+01 -0.324735D+01  0.934336D+01  0.593656D+01
      3   0.340354D+01  0.370848D+01  0.231294D+01  0.425616D+01  0.209853D+01
      4   0.723283D+00  0.366500D+00  0.588121D+01  0.300865D+01  0.954837D+01
      5   0.149625D+00 -0.186108D+02  0.361109D+01  0.250457D+01  0.385297D+01
      6   0.146980D+01  0.270061D+01 -0.119549D+01 -0.139730D+01 -0.143715D+01
                41            42            43            44            45 
      1  -0.601669D-01  0.111722D+01 -0.270160D+02  0.467007D+01 -0.558803D+01
      2   0.727150D+01 -0.174367D+01  0.166376D+02 -0.125858D+01 -0.171543D+01
      3  -0.721133D+01  0.626455D+00  0.103784D+02 -0.341149D+01  0.730346D+01
      4  -0.654074D+01 -0.406421D+01  0.671467D+01 -0.564409D+01 -0.103554D+01
      5  -0.494991D+01 -0.322732D+01  0.141278D+01 -0.280282D+01 -0.113521D+02
      6   0.103578D+01  0.592009D+01  0.790019D+00  0.358540D+01  0.290961D+01
                46            47            48            49            50 
      1  -0.243175D+01  0.901554D+01 -0.117228D+01  0.238058D+01 -0.128735D+02
      2   0.373190D+01 -0.140404D+02 -0.170534D+01 -0.662490D+01  0.261866D+02
      3  -0.130015D+01  0.502485D+01  0.287762D+01  0.424432D+01 -0.133130D+02
      4   0.138907D+02  0.253294D+01  0.373830D+01  0.869809D+01 -0.162569D+02
      5  -0.432522D+01  0.261691D+01 -0.803417D+01  0.127559D+01 -0.115077D+01
      6   0.511197D+01 -0.202898D+01  0.136953D+02 -0.355823D+01 -0.477411D+00
                51            52            53            54            55 
      1   0.148235D+01  0.424419D+00  0.732909D+00 -0.125804D+02  0.676316D+02
      2   0.633410D+00 -0.273269D+01  0.119127D+01  0.103119D+02 -0.400838D+02
      3  -0.211576D+01  0.230827D+01 -0.192418D+01  0.226851D+01 -0.275478D+02
      4  -0.309187D+01  0.462591D+01 -0.217502D+01  0.137625D+02  0.233721D+02
      5  -0.251722D+01 -0.800073D+01  0.341671D+01  0.220290D+01 -0.892645D+01
      6   0.700105D+01  0.165552D+02  0.874149D+01 -0.486698D+01 -0.249709D+01
                56            57            58            59            60 
      1   0.498151D+01 -0.394558D+01  0.249741D+01  0.296776D+01  0.463940D+00
      2   0.416008D+00  0.613843D+01  0.964602D+00  0.340102D+01 -0.115175D+00
      3  -0.539752D+01 -0.219285D+01 -0.346201D+01 -0.636878D+01 -0.348765D+00
      4   0.203964D+02 -0.223726D+01  0.164645D+02  0.608547D+01 -0.208853D+01
      5  -0.836435D+00  0.213688D+02 -0.213179D+00 -0.181179D+01  0.147115D+01
      6  -0.585667D+00  0.329359D+01 -0.149418D+01 -0.975955D+00  0.581664D+01
                61            62            63            64            65 
      1  -0.674845D+01  0.497832D+00  0.821377D+01  0.333136D-01  0.634153D+00
      2   0.690699D+01 -0.119173D+00 -0.104006D+02 -0.427528D+01 -0.642258D+00
      3  -0.158550D+00 -0.378659D+00  0.218686D+01  0.424196D+01  0.810441D-02
      4  -0.289718D+01 -0.429108D+01  0.563381D+01  0.125790D+01  0.227830D+01
      5   0.197769D+02  0.244857D+01 -0.107085D+02 -0.166635D+01  0.172585D+00
      6   0.666902D+01  0.585389D+01 -0.379429D+01 -0.108800D+01 -0.946544D+00
                66            67            68            69            70 
      1   0.148785D+01  0.858199D-01 -0.344602D+01  0.507834D+00  0.160231D+01
      2   0.181439D+01  0.522844D+00  0.108571D+01 -0.228993D+01  0.328496D+01
      3  -0.330224D+01 -0.608664D+00  0.236031D+01  0.178209D+01 -0.488728D+01
      4  -0.938506D+00  0.247569D+01  0.662382D+00 -0.396028D+00 -0.131144D+01
      5   0.759965D+01  0.167832D+00 -0.116401D+01 -0.234701D+00  0.459598D+01
      6   0.152531D+01 -0.112992D+01 -0.150461D+01  0.607019D+01  0.205473D+01
                71            72            73            74            75 
      1   0.265073D+01 -0.180860D+02  0.749216D+01  0.437945D+01 -0.137349D+01
      2  -0.125094D+01 -0.156490D+02  0.153374D+01  0.361115D+01 -0.603651D-01
      3  -0.139979D+01  0.337350D+02 -0.902590D+01 -0.799060D+01  0.143385D+01
      4   0.821570D+00  0.135318D+01  0.139475D+02  0.169581D+02 -0.150360D+01
      5   0.586641D+00 -0.508649D+01 -0.657338D+00  0.498549D-01  0.267053D+01
      6   0.514117D+01 -0.108079D+02 -0.580351D+00  0.317242D+00  0.156964D+01
                76            77            78            79            80 
      1   0.374433D+01 -0.597015D+01  0.475878D+00 -0.253522D+01  0.422265D+00
      2   0.647012D+01  0.244368D+02 -0.241946D+01  0.114938D+00 -0.333429D+01
      3  -0.102144D+02 -0.184666D+02  0.194358D+01  0.242028D+01  0.291203D+01
      4   0.198981D+02  0.325149D+02 -0.193471D+01 -0.349565D+01 -0.553540D+01
      5   0.844306D+00 -0.489939D+00  0.332166D+01  0.327076D+01  0.449253D+01
      6   0.105546D+01  0.941501D+00  0.451966D+01  0.252841D+01  0.550947D+01
                81            82            83            84            85 
      1  -0.250952D+01 -0.158846D+01  0.706981D+00  0.483487D+01 -0.186636D+01
      2   0.125003D+01 -0.125251D+01  0.726936D+00 -0.101395D+01  0.224258D+01
      3   0.125950D+01  0.284097D+01 -0.143392D+01 -0.382091D+01 -0.376216D+00
      4   0.515675D+01  0.917021D-01  0.296181D+01  0.747552D+00  0.293852D+01
      5  -0.193494D+00  0.108220D+01  0.126335D+00  0.369518D+01  0.144279D-01
      6  -0.554036D+00  0.956873D+00 -0.106972D+01 -0.214737D+01  0.271849D+00
                86            87            88            89            90 
      1  -0.223139D+01 -0.110635D+01  0.462964D+01 -0.340024D+01 -0.194723D+02
      2   0.642999D+00  0.195308D+01 -0.321302D+01  0.165989D+01 -0.147371D+02
      3   0.158839D+01 -0.846733D+00 -0.141662D+01  0.174035D+01  0.342094D+02
      4   0.225934D+01  0.206153D+01  0.157603D+01  0.230915D+01  0.273476D+01
      5   0.188902D+01 -0.119219D+01  0.565570D+01  0.171920D+01  0.196063D+02
      6   0.155391D+01  0.541068D+01  0.314444D+00  0.530420D+01  0.120787D+02
                91            92            93            94            95 
      1   0.461563D+01  0.101120D+02  0.174932D+01  0.242878D+01  0.498523D+00
      2  -0.421529D+01 -0.120821D+02 -0.944439D+00 -0.440750D+01  0.113189D+01
      3  -0.400333D+00  0.197014D+01 -0.804883D+00  0.197872D+01 -0.163041D+01
      4  -0.127756D+02 -0.749806D+00  0.141979D+01  0.100688D+01 -0.570785D+01
      5   0.764391D+00  0.588422D+00 -0.145395D+01  0.771878D+00 -0.233209D-01
      6   0.239548D+01 -0.115257D+01 -0.367990D+01 -0.379455D+00  0.345648D+00
                96            97            98            99           100 
      1   0.390704D+00 -0.306134D-02 -0.558077D+00 -0.155523D+01  0.587428D+01
      2   0.554100D-01  0.854853D-01  0.547161D+00  0.112825D+00 -0.288531D+01
      3  -0.446114D+00 -0.824240D-01  0.109163D-01  0.144240D+01 -0.298897D+01
      4  -0.452055D+00  0.199551D+01 -0.133145D+00 -0.154305D+01 -0.935757D+01
      5  -0.210875D+01  0.142981D+01 -0.454782D+00 -0.987087D+00 -0.570931D+01
      6   0.502686D+00 -0.201352D+01  0.289801D+01  0.121910D+01  0.552593D+01
               101           102           103           104           105 
      1  -0.156978D+01 -0.265283D+01 -0.206223D+01 -0.246176D+01  0.702050D+00
      2   0.129797D+00  0.220859D+01  0.152622D+01  0.412080D+01  0.551109D+00
      3   0.143998D+01  0.444247D+00  0.536016D+00 -0.165904D+01 -0.125316D+01
      4   0.640385D+01  0.570462D+01  0.286949D+01  0.330820D+00 -0.170049D+01
      5   0.171577D+01  0.856721D+01  0.571390D+00 -0.991642D+00 -0.798408D-01
      6  -0.198216D+01 -0.870227D+01 -0.147945D+01 -0.197316D+00  0.165699D+01
               106           107           108           109           110 
      1  -0.398206D+01 -0.288078D+01  0.111189D+01  0.115386D+02 -0.317845D+01
      2   0.456542D+01  0.446766D+01 -0.680132D+01 -0.393801D+01 -0.485166D+00
      3  -0.583355D+00 -0.158689D+01  0.568943D+01 -0.760056D+01  0.366362D+01
      4   0.851410D+01 -0.404665D+01 -0.847666D+01 -0.201404D+02  0.112947D+02
      5   0.845644D+01 -0.260126D+01 -0.131643D+02  0.112226D+02 -0.442869D+01
      6  -0.940130D+01  0.307227D+01  0.166555D+02 -0.104361D+02  0.482845D+01
               111           112           113           114           115 
      1   0.450724D+01 -0.263548D+01 -0.323975D+01 -0.124545D+01  0.389115D+01
      2  -0.200956D+01 -0.254549D+00  0.627819D+01 -0.605864D+00 -0.302962D+01
      3  -0.249768D+01  0.289003D+01 -0.303844D+01  0.185131D+01 -0.861536D+00
      4  -0.958191D+01  0.876596D+01 -0.289362D+01  0.448118D+01 -0.127238D+02
      5   0.103080D+02 -0.231708D+01  0.212706D+01 -0.123146D+01  0.112284D+02
      6  -0.942670D+01  0.477844D+01 -0.131760D+01  0.480956D+01 -0.116827D+02
               116           117           118           119           120 
      1   0.115127D+01  0.196169D+01  0.498415D+02 -0.102317D+02  0.119497D+02
      2  -0.250265D+01 -0.421827D+01 -0.281595D+02  0.522046D+01 -0.671152D+01
      3   0.135138D+01  0.225658D+01 -0.216820D+02  0.501126D+01 -0.523821D+01
      4   0.527345D+01 -0.105491D+02 -0.113158D+02  0.730237D+01 -0.324709D+01
      5  -0.416444D+01  0.104554D+02  0.154319D+02 -0.340968D+01  0.103211D+02
      6   0.581354D+01 -0.118402D+02 -0.363632D+01  0.142077D+01 -0.134216D+01
               121           122           123           124           125 
      1  -0.663279D+01  0.489630D+01 -0.157110D+01  0.212834D+02 -0.455299D+01
      2   0.319409D+01 -0.150285D+01  0.445678D+00 -0.136543D+02  0.291195D+01
      3   0.343871D+01 -0.339345D+01  0.112542D+01 -0.762912D+01  0.164104D+01
      4   0.871913D+01 -0.432703D+01  0.279464D+01 -0.550348D+01  0.385942D+01
      5  -0.220375D+01  0.283543D+01 -0.137585D+01  0.149091D+02 -0.321886D+01
      6   0.177550D+01 -0.986438D+00  0.198089D+01 -0.268198D+01  0.187674D+01
               126 
      1   0.989506D+01
      2  -0.744935D+01
      3  -0.244571D+01
      4  -0.303420D+01
      5   0.883216D+01
      6  -0.195084D+01
 Leave Link  716 at Thu Aug 12 19:40:34 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.705651D+02 -0.202114D+01 -0.998451D+00
      2  -0.202114D+01  0.646681D+02  0.681398D+00
      3  -0.998451D+00  0.681398D+00  0.493190D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.391669D+01 -0.202835D+01 -0.174948D+02
      2   0.541147D+01  0.150068D+01  0.394663D+01
      3   0.108404D+02  0.108746D+00  0.171352D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.276291D+01 -0.245791D+02  0.944265D+01
      2   0.808567D+00  0.393766D+02 -0.827093D+01
      3  -0.357148D+01 -0.147976D+02 -0.117172D+01
      4   0.165087D+02  0.298574D+01  0.804709D+01
      5   0.132502D+02  0.411199D+01  0.798641D+01
      6   0.734171D+01 -0.129981D+01  0.320775D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.277707D+01  0.108308D+01  0.167407D+01  0.757382D+00 -0.514271D+01
      2   0.108308D+01 -0.277675D+01  0.327715D+00 -0.514271D+01 -0.399798D+01
      3   0.167407D+01  0.327715D+00  0.175753D+01 -0.630706D-01  0.109267D+01
                 6             7             8             9            10 
      1  -0.630706D-01  0.286706D+01  0.138986D+00  0.985889D+00 -0.462079D+01
      2   0.109267D+01  0.138986D+00  0.233398D+01 -0.401344D+00  0.344164D+00
      3   0.970468D-01  0.985889D+00 -0.401344D+00 -0.744235D+01 -0.983096D+00
                11            12            13            14            15 
      1   0.344164D+00 -0.983096D+00 -0.146569D+01  0.352796D+01  0.327087D+00
      2   0.418713D+01  0.866136D-01  0.352796D+01  0.448704D+01 -0.438926D-02
      3   0.866136D-01 -0.195335D+01  0.327087D+00 -0.438926D-02  0.621152D+00
                16            17            18            19            20 
      1  -0.142350D+01 -0.314719D-01 -0.188163D+01  0.814487D+01  0.474880D+00
      2  -0.314719D-01 -0.157255D+01  0.112103D+00  0.474880D+00 -0.215739D+01
      3  -0.188163D+01  0.112103D+00  0.702709D+01 -0.151733D+01 -0.584322D+00
                21            22            23            24            25 
      1  -0.151733D+01 -0.223798D+00 -0.359841D+01 -0.328318D+00 -0.207394D+01
      2  -0.584322D+00 -0.359841D+01 -0.248113D+01  0.381293D+00 -0.390985D+00
      3   0.970554D+00 -0.328318D+00  0.381293D+00 -0.714429D+00  0.811057D+00
                26            27            28            29            30 
      1  -0.390985D+00  0.811057D+00 -0.528423D+01 -0.303970D+01  0.362472D+00
      2   0.597160D+00 -0.414950D+00 -0.303970D+01 -0.433093D+00 -0.111390D+00
      3  -0.414950D+00 -0.121880D+01  0.362472D+00 -0.111390D+00  0.367528D-01
                31            32            33            34            35 
      1  -0.106218D+01  0.205879D+01 -0.107244D+00  0.100140D+01  0.268992D-01
      2   0.205879D+01 -0.831460D+01 -0.601785D+00  0.268992D-01  0.174184D+00
      3  -0.107244D+00 -0.601785D+00 -0.104634D+01  0.495286D+00 -0.196768D+01
                36            37            38            39            40 
      1   0.495286D+00 -0.288346D+01 -0.112981D+01 -0.290865D+01 -0.188998D+01
      2  -0.196768D+01 -0.112981D+01 -0.232530D+00  0.454431D+00  0.201337D+01
      3  -0.271290D+00 -0.290865D+01  0.454431D+00 -0.108188D+01  0.377988D+00
                41            42            43            44            45 
      1   0.201337D+01  0.377988D+00 -0.571510D+01  0.131327D+01 -0.385180D+00
      2  -0.215804D+01 -0.908536D+00  0.131327D+01 -0.163419D+01 -0.560619D+00
      3  -0.908536D+00 -0.168466D-01 -0.385180D+00 -0.560619D+00 -0.153293D+01
                46            47            48            49            50 
      1   0.352296D+01 -0.760304D+00  0.107002D+01 -0.587056D-01 -0.196718D+01
      2  -0.760304D+00 -0.943994D+00 -0.263352D+00 -0.196718D+01  0.437681D+01
      3   0.107002D+01 -0.263352D+00  0.380583D+01 -0.749999D+00  0.615510D-01
                51            52            53            54            55 
      1  -0.749999D+00  0.163871D+01 -0.678052D+00  0.382086D+01 -0.147332D+02
      2   0.615510D-01 -0.678052D+00 -0.110584D+00  0.716601D+00 -0.105362D+01
      3   0.415821D+00  0.382086D+01  0.716601D+00 -0.187292D+01  0.180031D+01
                56            57            58            59            60 
      1  -0.105362D+01  0.180031D+01 -0.112006D+01 -0.213216D+01  0.289188D+00
      2  -0.308231D+01  0.289392D+00 -0.213216D+01  0.105931D+00  0.470661D+00
      3   0.289392D+00 -0.243611D+01  0.289188D+00  0.470661D+00  0.255439D+00
                61            62            63            64            65 
      1   0.250319D+01  0.445539D+00 -0.357214D+01  0.168263D+01  0.307856D+00
      2   0.445539D+00  0.952083D+00 -0.306121D+00  0.307856D+00 -0.389262D+00
      3  -0.357214D+01 -0.306121D+00  0.217926D+01 -0.104411D+01 -0.340290D-01
                66            67            68            69            70 
      1  -0.104411D+01  0.168581D+00 -0.364751D+00 -0.554475D-01 -0.174521D+01
      2  -0.340290D-01 -0.364751D+00  0.978619D-01 -0.117284D+01  0.128953D-01
      3   0.151094D+01 -0.554475D-01 -0.117284D+01 -0.329667D-01  0.116588D+01
                71            72            73            74            75 
      1   0.128953D-01  0.116588D+01  0.237448D+01  0.213727D+01 -0.504331D+00
      2  -0.157076D+01  0.454398D+00  0.213727D+01  0.262967D+01 -0.153731D+00
      3   0.454398D+00 -0.865726D+01 -0.504331D+00 -0.153731D+00  0.417700D+00
                76            77            78            79            80 
      1   0.320223D+01  0.331394D+01 -0.560952D-03 -0.120482D+01 -0.434737D+00
      2   0.331394D+01  0.742924D+01 -0.490920D+00 -0.434737D+00 -0.148181D+01
      3  -0.560952D-03 -0.490920D+00  0.875691D+00  0.584546D+00  0.117875D+01
                81            82            83            84            85 
      1   0.584546D+00 -0.601093D+00  0.171210D+00  0.928072D+00 -0.222022D+00
      2   0.117875D+01  0.171210D+00  0.230952D+00 -0.223779D+00  0.470339D+00
      3   0.295038D+00  0.928072D+00 -0.223779D+00 -0.119778D+01 -0.345473D-01
                86            87            88            89            90 
      1   0.470339D+00 -0.345473D-01  0.166713D+01 -0.249534D+00  0.405109D+00
      2   0.419671D+00  0.102442D+01 -0.249534D+00  0.113872D+01  0.706985D+00
      3   0.102442D+01 -0.272015D+00  0.405109D+00  0.706985D+00  0.887303D+01
                91            92            93            94            95 
      1   0.736964D+01  0.777768D+00 -0.193605D+00  0.988410D+00  0.126824D+01
      2   0.777768D+00  0.310721D+01  0.251270D+00  0.126824D+01 -0.996297D+00
      3  -0.193605D+00  0.251270D+00  0.720709D+00  0.164556D+00 -0.117421D+00
                96            97            98            99           100 
      1   0.164556D+00 -0.835772D+00  0.177990D+00  0.487553D+00 -0.204404D+01
      2  -0.117421D+00  0.177990D+00 -0.332295D+00 -0.641083D+00  0.810103D+00
      3  -0.535902D+00  0.487553D+00 -0.641083D+00 -0.475936D+00  0.150952D+01
               101           102           103           104           105 
      1   0.810103D+00  0.150952D+01  0.545643D+00 -0.443370D-01 -0.194080D+00
      2  -0.721503D+00 -0.472477D+00 -0.443370D-01  0.631839D+00  0.159723D+00
      3  -0.472477D+00 -0.212217D+01 -0.194080D+00  0.159723D+00 -0.166043D+00
               106           107           108           109           110 
      1   0.262195D+01 -0.545595D+00 -0.242458D+01 -0.468668D+01  0.190594D+01
      2  -0.545595D+00  0.184478D+01  0.681292D+00  0.190594D+01 -0.104457D+01
      3  -0.242458D+01  0.681292D+00  0.468138D+01 -0.230521D+01  0.848637D+00
               111           112           113           114           115 
      1  -0.230521D+01  0.191824D+01 -0.610918D+00  0.776930D+00 -0.376952D+01
      2   0.848637D+00 -0.610918D+00  0.152793D+01 -0.297471D+00  0.115291D+01
      3  -0.222339D+01  0.776930D+00 -0.297471D+00  0.799392D+00 -0.272437D+01
               116           117           118           119           120 
      1   0.115291D+01 -0.272437D+01  0.898186D+01 -0.202883D+01  0.211188D+01
      2  -0.138276D+01  0.992907D+00 -0.202883D+01  0.162644D+01 -0.414979D+00
      3   0.992907D+00 -0.293989D+01  0.211188D+01 -0.414979D+00  0.179465D+01
               121           122           123           124           125 
      1  -0.153804D+01  0.120783D+01 -0.402481D+00  0.446841D+01 -0.938119D+00
      2   0.120783D+01 -0.112827D+01  0.403048D+00 -0.938119D+00  0.104406D+01
      3  -0.402481D+00  0.403048D+00 -0.279997D+00  0.223172D+01 -0.551242D+00
               126 
      1   0.223172D+01
      2  -0.551242D+00
      3   0.135558D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.256090D+01 -0.328396D+01 -0.333193D+01 -0.402000D+01 -0.291236D+01
      2   0.488142D+01  0.446963D+00  0.278881D+01 -0.129493D+01  0.361834D+01
      3   0.314964D+01  0.629235D+01  0.107136D+01  0.828569D+01 -0.396688D+01
                 6             7             8             9            10 
      1   0.384621D-01 -0.173945D+01  0.302968D+01  0.800710D+01  0.272391D+01
      2   0.143170D+01 -0.224633D+01 -0.844648D+00 -0.812679D+01 -0.153913D+01
      3  -0.825507D+00  0.305803D+01 -0.245390D+01  0.199151D+01 -0.974736D+00
                11            12            13            14            15 
      1  -0.178677D+01 -0.272847D+00 -0.231594D+01 -0.274234D+01 -0.242712D+01
      2  -0.219303D+00  0.122068D+01 -0.300430D-01  0.683388D+00  0.172072D+01
      3  -0.384002D+01 -0.101085D+01  0.658530D+00  0.190665D+01  0.108009D+01
                16            17            18            19            20 
      1   0.165544D+01  0.492133D+01 -0.283384D+01 -0.204168D+01  0.872643D+01
      2  -0.476942D+01 -0.688306D+00  0.742982D-01 -0.258144D+01 -0.181448D+01
      3  -0.177808D+01  0.201278D+00 -0.146179D+01 -0.572232D+01  0.205933D+01
                21            22            23            24            25 
      1   0.355062D-01  0.334347D+01  0.519345D+01  0.577754D+01  0.317920D+01
      2  -0.940741D+01 -0.186723D+01 -0.867341D+00  0.603286D+00 -0.122399D+02
      3   0.138292D+01  0.256896D+01  0.900690D+00 -0.202689D+01  0.252605D+01
                26            27            28            29            30 
      1   0.176961D+02 -0.141818D+01  0.147869D+01 -0.196038D+01 -0.801675D-01
      2  -0.432491D+01  0.518248D+01 -0.217632D+01 -0.216560D+00  0.355469D+01
      3  -0.585308D+01 -0.645408D+00  0.172853D+02  0.268915D+01 -0.871848D+00
                31            32            33            34            35 
      1   0.237637D+00  0.105856D+01 -0.801679D+01 -0.894959D+00 -0.412974D+01
      2  -0.424453D+00  0.119291D+00 -0.196253D+01 -0.211214D+01  0.271646D+01
      3   0.122805D+02 -0.145179D+01 -0.602165D-01 -0.326152D+01  0.899914D+00
                36            37            38            39            40 
      1   0.338295D+00 -0.285647D+01  0.628969D+00  0.119890D+01  0.160492D+01
      2  -0.462375D+00 -0.913977D+01  0.299954D+01  0.101158D+01  0.264456D+01
      3  -0.148540D+01  0.651783D+01 -0.798967D+01 -0.238269D-02  0.281338D+00
                41            42            43            44            45 
      1  -0.125770D+01 -0.441129D+01 -0.144269D+01  0.344331D+01 -0.214267D+01
      2  -0.291081D+01 -0.127803D+01 -0.622927D+01  0.153057D+00 -0.580107D+01
      3   0.783730D+01  0.188339D+01 -0.105273D+00  0.534358D+01  0.158166D+01
                46            47            48            49            50 
      1  -0.270517D+01  0.141616D+01 -0.849413D+01  0.282893D+01 -0.188491D+01
      2  -0.160166D+01  0.164057D+01 -0.382203D+00  0.968386D+00 -0.115990D+01
      3   0.952701D+01 -0.646528D+01  0.169885D+01  0.473022D+01 -0.762857D+00
                51            52            53            54            55 
      1  -0.591832D+01 -0.108321D+02  0.224631D+01  0.332339D+01  0.263983D+01
      2  -0.833000D+00 -0.715148D+01  0.272281D+01  0.105416D+01 -0.106863D+01
      3  -0.166079D+01  0.265993D+01 -0.236103D+01  0.105389D+02  0.980808D+01
                56            57            58            59            60 
      1  -0.373694D+01 -0.205563D+01 -0.690448D+00 -0.172633D+00 -0.388602D+01
      2  -0.179648D+00  0.126396D+02  0.104316D+01 -0.502234D+00  0.140909D+01
      3  -0.137370D+02 -0.111205D+01  0.883166D+00  0.137754D+01  0.809284D+00
                61            62            63            64            65 
      1  -0.420859D+01 -0.784238D+00  0.219894D+01  0.509000D+00 -0.329222D-01
      2   0.178067D+01  0.195857D+01 -0.432671D+01  0.131809D+01  0.329939D+00
      3  -0.102843D+01  0.446265D+01  0.296447D+01  0.130669D+01 -0.675909D+00
                66            67            68            69            70 
      1  -0.783792D+00  0.511302D+00  0.742660D+00 -0.202343D+00 -0.131662D+01
      2   0.820655D+00 -0.302566D+00 -0.199150D+00 -0.147666D+00 -0.276400D+01
      3  -0.592608D+00  0.151668D+01 -0.390696D+00 -0.324032D+00 -0.892131D+00
                71            72            73            74            75 
      1   0.232641D+01  0.523033D+01  0.156156D+01  0.136615D+01 -0.121891D+01
      2   0.478450D+00 -0.576754D-01 -0.101326D+01 -0.103959D+01  0.177778D+01
      3   0.690694D+00  0.362405D+00  0.400609D+00 -0.281025D+01 -0.405727D+00
                76            77            78            79            80 
      1   0.993795D+00  0.316661D+01 -0.363313D+01 -0.539048D+00 -0.112164D+01
      2  -0.488117D+00 -0.141121D+01  0.211461D+01 -0.199701D-01  0.148099D+01
      3   0.311537D+01 -0.751378D+01  0.853114D+00 -0.179805D+01  0.169469D+01
                81            82            83            84            85 
      1   0.245953D+00 -0.895731D+00 -0.567522D-01  0.881908D+00  0.272566D+00
      2  -0.122866D+00  0.205670D+01 -0.510616D+00 -0.913312D+00  0.258381D+00
      3  -0.814130D+00 -0.138085D+01 -0.795601D+00  0.964441D+00  0.345802D+00
                86            87            88            89            90 
      1  -0.780218D+00  0.263343D+00 -0.364884D+00  0.318779D+01 -0.839311D+01
      2   0.104809D+01 -0.267289D+00 -0.412870D+01  0.151616D+01  0.113147D+02
      3   0.335540D+00 -0.108645D+01  0.181533D+01 -0.156061D+01 -0.112965D+01
                91            92            93            94            95 
      1  -0.132769D+01 -0.274623D+00  0.228488D+01  0.633784D-02 -0.261774D-01
      2   0.328829D+01  0.101233D+01 -0.889810D+00  0.851427D+00  0.278327D+00
      3  -0.237227D+02 -0.311959D+01  0.401224D+00 -0.367292D+01 -0.808058D+00
                96            97            98            99           100 
      1   0.153336D+00  0.178461D+01  0.640491D+00 -0.490138D+00 -0.358224D+01
      2  -0.115508D+01 -0.247443D+01 -0.349109D+00 -0.359839D+00 -0.725247D+00
      3  -0.311256D+00  0.185120D+01 -0.303882D+00 -0.634954D+00 -0.411564D+01
               101           102           103           104           105 
      1   0.171481D+00  0.533500D+01  0.295155D+00 -0.126318D+01  0.368450D-01
      2   0.893202D+00  0.315429D+01  0.765028D+00  0.451149D+00  0.418130D-01
      3  -0.690415D+00  0.324015D+01  0.687042D+00 -0.489291D+00 -0.265022D+00
               106           107           108           109           110 
      1   0.646161D+01  0.775000D+00 -0.105120D+02  0.488801D+01 -0.106214D+01
      2   0.741782D+00 -0.122117D+01 -0.481443D+01  0.916905D+00 -0.109583D+01
      3   0.596802D+01  0.116532D+01 -0.554063D+01 -0.942145D+01  0.953361D+00
               111           112           113           114           115 
      1   0.527549D+01 -0.207730D+01  0.387007D+00 -0.169492D+01  0.587991D+01
      2   0.316524D+01 -0.710852D+00 -0.953659D-01 -0.774717D+00  0.934561D+00
      3  -0.457565D+01  0.399466D+01 -0.295469D+00  0.188537D+01 -0.791058D+01
               116           117           118           119           120 
      1  -0.270560D+00  0.596828D+01  0.216888D+01 -0.114709D+00  0.122573D+01
      2  -0.967191D+00  0.275657D+01  0.688517D+01 -0.190585D+01  0.611862D+01
      3   0.661621D+00 -0.565950D+01 -0.164715D+01 -0.420387D+01 -0.528605D+00
               121           122           123           124           125 
      1  -0.491556D+00  0.150565D+00 -0.738839D+00  0.136727D+01  0.373192D+00
      2  -0.141275D+01  0.947424D+00 -0.902890D+00  0.539549D+01 -0.162039D+01
      3  -0.391951D+00  0.231034D+01 -0.449844D+00 -0.110450D+01 -0.258725D+01
               126 
      1   0.818389D+00
      2   0.418828D+01
      3  -0.674597D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.188192D+01  0.475645D+00  0.104751D+01  0.126648D+02 -0.533818D+01
      2  -0.260935D+01 -0.170017D+01 -0.362015D+01 -0.162891D+02 -0.112440D+02
      3   0.449127D+01  0.122453D+01  0.257264D+01  0.362429D+01  0.165822D+02
      4   0.440185D+01 -0.113592D+02  0.488556D+01 -0.183151D+02 -0.209434D+02
      5   0.841778D+01  0.904975D+00  0.176267D+01 -0.356638D+01  0.293909D+01
      6   0.407799D+01  0.132090D+01  0.603024D+01  0.288958D+00 -0.498885D+00
                 6             7             8             9            10 
      1  -0.111963D+01  0.576137D+01 -0.139489D-01  0.130158D+02 -0.501181D+01
      2   0.422851D+01 -0.224696D+01  0.318565D+01  0.673834D+01  0.676757D+01
      3  -0.310888D+01 -0.351441D+01 -0.317170D+01 -0.197541D+02 -0.175577D+01
      4   0.322995D+01  0.266696D+01  0.622260D+01  0.114408D+00  0.788118D+00
      5   0.392630D+01  0.292439D+01  0.262799D+00 -0.137795D+02 -0.340944D+01
      6  -0.168106D+01  0.288708D+01  0.119207D+01 -0.947762D+01 -0.353560D+01
                11            12            13            14            15 
      1  -0.820083D+01 -0.338623D+01  0.112886D+01  0.294121D+01  0.776237D+00
      2   0.153904D+02  0.108856D+01  0.306929D+01 -0.283730D+01  0.584699D+00
      3  -0.718961D+01  0.229767D+01 -0.419816D+01 -0.103908D+00 -0.136094D+01
      4  -0.112503D+01 -0.317683D+01 -0.832378D+00  0.504651D+01  0.313399D+00
      5  -0.952548D+00 -0.211840D+01  0.105531D+01  0.971004D+00  0.300495D+01
      6  -0.645132D+00  0.736235D-01  0.813759D+00  0.215521D+01 -0.554204D+00
                16            17            18            19            20 
      1  -0.558898D+01  0.142517D+01  0.888251D+01 -0.329203D+02 -0.101659D+02
      2  -0.103516D+01 -0.631137D+01  0.804550D+01  0.181225D+02  0.851407D+01
      3   0.662414D+01  0.488620D+01 -0.169280D+02  0.147978D+02  0.165179D+01
      4  -0.388391D+01 -0.160058D+01 -0.410770D+01 -0.128239D+02 -0.146390D+02
      5  -0.282483D+00 -0.195028D+01  0.544338D+01  0.617003D+01  0.523662D+00
      6  -0.458808D+01  0.301040D+00  0.790974D+01  0.301913D+01  0.204670D+01
                21            22            23            24            25 
      1   0.385134D+00 -0.170270D+01  0.108862D+02  0.736404D+00  0.878577D+01
      2  -0.500613D+01  0.311986D+01 -0.155603D+02 -0.214169D+01 -0.574197D+01
      3   0.462099D+01 -0.141716D+01  0.467411D+01  0.140529D+01 -0.304381D+01
      4   0.274940D+01 -0.236531D+01  0.846929D+01 -0.175038D+01  0.562031D+01
      5  -0.142405D+02 -0.973697D+00 -0.195853D+01  0.228403D+01  0.183127D+01
      6   0.205650D+01 -0.173199D+01 -0.433173D+01 -0.734087D+01 -0.149604D+01
                26            27            28            29            30 
      1  -0.755030D+00 -0.746444D+01 -0.272734D+01 -0.587854D+00 -0.116300D+01
      2   0.971952D-01 -0.366745D+01  0.754970D+01 -0.463997D+00  0.114377D+01
      3   0.657835D+00  0.111319D+02 -0.482236D+01  0.105185D+01  0.192274D-01
      4   0.581119D+01 -0.732418D+00  0.627576D+01  0.165315D+02 -0.887289D+00
      5  -0.127290D+01  0.758325D+01 -0.782314D+00 -0.844888D-03  0.636838D+01
      6   0.205188D+01  0.173078D+01 -0.201449D+01 -0.327797D+00 -0.154851D+01
                31            32            33            34            35 
      1  -0.648534D+00 -0.296811D+02 -0.206435D+01  0.161351D+00  0.156558D+00
      2  -0.216494D+01  0.428132D+02  0.177242D+01  0.723919D+00  0.261963D+00
      3   0.281347D+01 -0.131321D+02  0.291935D+00 -0.885269D+00 -0.418521D+00
      4   0.106931D+02 -0.720342D+00  0.159913D+01 -0.189807D+01 -0.871420D+00
      5   0.720367D+00  0.177830D+01 -0.204077D+01  0.335681D+01  0.151775D+01
      6   0.122795D+01  0.493929D+01  0.152067D+02 -0.195639D+01  0.133269D+02
                36            37            38            39            40 
      1  -0.870414D+01 -0.637864D+01  0.934411D+00 -0.135995D+02 -0.803509D+01
      2   0.530060D+01  0.267016D+01 -0.324735D+01  0.934336D+01  0.593656D+01
      3   0.340354D+01  0.370848D+01  0.231294D+01  0.425616D+01  0.209853D+01
      4   0.723283D+00  0.366500D+00  0.588121D+01  0.300865D+01  0.954837D+01
      5   0.149625D+00 -0.186108D+02  0.361109D+01  0.250457D+01  0.385297D+01
      6   0.146980D+01  0.270061D+01 -0.119549D+01 -0.139730D+01 -0.143715D+01
                41            42            43            44            45 
      1  -0.601669D-01  0.111722D+01 -0.270160D+02  0.467007D+01 -0.558803D+01
      2   0.727150D+01 -0.174367D+01  0.166376D+02 -0.125858D+01 -0.171543D+01
      3  -0.721133D+01  0.626455D+00  0.103784D+02 -0.341149D+01  0.730346D+01
      4  -0.654074D+01 -0.406421D+01  0.671467D+01 -0.564409D+01 -0.103554D+01
      5  -0.494991D+01 -0.322732D+01  0.141278D+01 -0.280282D+01 -0.113521D+02
      6   0.103578D+01  0.592009D+01  0.790019D+00  0.358540D+01  0.290961D+01
                46            47            48            49            50 
      1  -0.243175D+01  0.901554D+01 -0.117228D+01  0.238058D+01 -0.128735D+02
      2   0.373190D+01 -0.140404D+02 -0.170534D+01 -0.662490D+01  0.261866D+02
      3  -0.130015D+01  0.502485D+01  0.287762D+01  0.424432D+01 -0.133130D+02
      4   0.138907D+02  0.253294D+01  0.373830D+01  0.869809D+01 -0.162569D+02
      5  -0.432522D+01  0.261691D+01 -0.803417D+01  0.127559D+01 -0.115077D+01
      6   0.511197D+01 -0.202898D+01  0.136953D+02 -0.355823D+01 -0.477411D+00
                51            52            53            54            55 
      1   0.148235D+01  0.424419D+00  0.732909D+00 -0.125804D+02  0.676316D+02
      2   0.633410D+00 -0.273269D+01  0.119127D+01  0.103119D+02 -0.400838D+02
      3  -0.211576D+01  0.230827D+01 -0.192418D+01  0.226851D+01 -0.275478D+02
      4  -0.309187D+01  0.462591D+01 -0.217502D+01  0.137625D+02  0.233721D+02
      5  -0.251722D+01 -0.800073D+01  0.341671D+01  0.220290D+01 -0.892645D+01
      6   0.700105D+01  0.165552D+02  0.874149D+01 -0.486698D+01 -0.249709D+01
                56            57            58            59            60 
      1   0.498151D+01 -0.394558D+01  0.249741D+01  0.296776D+01  0.463940D+00
      2   0.416008D+00  0.613843D+01  0.964602D+00  0.340102D+01 -0.115175D+00
      3  -0.539752D+01 -0.219285D+01 -0.346201D+01 -0.636878D+01 -0.348765D+00
      4   0.203964D+02 -0.223726D+01  0.164645D+02  0.608547D+01 -0.208853D+01
      5  -0.836435D+00  0.213688D+02 -0.213179D+00 -0.181179D+01  0.147115D+01
      6  -0.585667D+00  0.329359D+01 -0.149418D+01 -0.975955D+00  0.581664D+01
                61            62            63            64            65 
      1  -0.674845D+01  0.497832D+00  0.821377D+01  0.333136D-01  0.634153D+00
      2   0.690699D+01 -0.119173D+00 -0.104006D+02 -0.427528D+01 -0.642258D+00
      3  -0.158550D+00 -0.378659D+00  0.218686D+01  0.424196D+01  0.810441D-02
      4  -0.289718D+01 -0.429108D+01  0.563381D+01  0.125790D+01  0.227830D+01
      5   0.197769D+02  0.244857D+01 -0.107085D+02 -0.166635D+01  0.172585D+00
      6   0.666902D+01  0.585389D+01 -0.379429D+01 -0.108800D+01 -0.946544D+00
                66            67            68            69            70 
      1   0.148785D+01  0.858199D-01 -0.344602D+01  0.507834D+00  0.160231D+01
      2   0.181439D+01  0.522844D+00  0.108571D+01 -0.228993D+01  0.328496D+01
      3  -0.330224D+01 -0.608664D+00  0.236031D+01  0.178209D+01 -0.488728D+01
      4  -0.938506D+00  0.247569D+01  0.662382D+00 -0.396028D+00 -0.131144D+01
      5   0.759965D+01  0.167832D+00 -0.116401D+01 -0.234701D+00  0.459598D+01
      6   0.152531D+01 -0.112992D+01 -0.150461D+01  0.607019D+01  0.205473D+01
                71            72            73            74            75 
      1   0.265073D+01 -0.180860D+02  0.749216D+01  0.437945D+01 -0.137349D+01
      2  -0.125094D+01 -0.156490D+02  0.153374D+01  0.361115D+01 -0.603651D-01
      3  -0.139979D+01  0.337350D+02 -0.902590D+01 -0.799060D+01  0.143385D+01
      4   0.821570D+00  0.135318D+01  0.139475D+02  0.169581D+02 -0.150360D+01
      5   0.586641D+00 -0.508649D+01 -0.657338D+00  0.498549D-01  0.267053D+01
      6   0.514117D+01 -0.108079D+02 -0.580351D+00  0.317242D+00  0.156964D+01
                76            77            78            79            80 
      1   0.374433D+01 -0.597015D+01  0.475878D+00 -0.253522D+01  0.422265D+00
      2   0.647012D+01  0.244368D+02 -0.241946D+01  0.114938D+00 -0.333429D+01
      3  -0.102144D+02 -0.184666D+02  0.194358D+01  0.242028D+01  0.291203D+01
      4   0.198981D+02  0.325149D+02 -0.193471D+01 -0.349565D+01 -0.553540D+01
      5   0.844306D+00 -0.489939D+00  0.332166D+01  0.327076D+01  0.449253D+01
      6   0.105546D+01  0.941501D+00  0.451966D+01  0.252841D+01  0.550947D+01
                81            82            83            84            85 
      1  -0.250952D+01 -0.158846D+01  0.706981D+00  0.483487D+01 -0.186636D+01
      2   0.125003D+01 -0.125251D+01  0.726936D+00 -0.101395D+01  0.224258D+01
      3   0.125950D+01  0.284097D+01 -0.143392D+01 -0.382091D+01 -0.376216D+00
      4   0.515675D+01  0.917021D-01  0.296181D+01  0.747552D+00  0.293852D+01
      5  -0.193494D+00  0.108220D+01  0.126335D+00  0.369518D+01  0.144279D-01
      6  -0.554036D+00  0.956873D+00 -0.106972D+01 -0.214737D+01  0.271849D+00
                86            87            88            89            90 
      1  -0.223139D+01 -0.110635D+01  0.462964D+01 -0.340024D+01 -0.194723D+02
      2   0.642999D+00  0.195308D+01 -0.321302D+01  0.165989D+01 -0.147371D+02
      3   0.158839D+01 -0.846733D+00 -0.141662D+01  0.174035D+01  0.342094D+02
      4   0.225934D+01  0.206153D+01  0.157603D+01  0.230915D+01  0.273476D+01
      5   0.188902D+01 -0.119219D+01  0.565570D+01  0.171920D+01  0.196063D+02
      6   0.155391D+01  0.541068D+01  0.314444D+00  0.530420D+01  0.120787D+02
                91            92            93            94            95 
      1   0.461563D+01  0.101120D+02  0.174932D+01  0.242878D+01  0.498523D+00
      2  -0.421529D+01 -0.120821D+02 -0.944439D+00 -0.440750D+01  0.113189D+01
      3  -0.400333D+00  0.197014D+01 -0.804883D+00  0.197872D+01 -0.163041D+01
      4  -0.127756D+02 -0.749806D+00  0.141979D+01  0.100688D+01 -0.570785D+01
      5   0.764391D+00  0.588422D+00 -0.145395D+01  0.771878D+00 -0.233209D-01
      6   0.239548D+01 -0.115257D+01 -0.367990D+01 -0.379455D+00  0.345648D+00
                96            97            98            99           100 
      1   0.390704D+00 -0.306134D-02 -0.558077D+00 -0.155523D+01  0.587428D+01
      2   0.554100D-01  0.854853D-01  0.547161D+00  0.112825D+00 -0.288531D+01
      3  -0.446114D+00 -0.824240D-01  0.109163D-01  0.144240D+01 -0.298897D+01
      4  -0.452055D+00  0.199551D+01 -0.133145D+00 -0.154305D+01 -0.935757D+01
      5  -0.210875D+01  0.142981D+01 -0.454782D+00 -0.987087D+00 -0.570931D+01
      6   0.502686D+00 -0.201352D+01  0.289801D+01  0.121910D+01  0.552593D+01
               101           102           103           104           105 
      1  -0.156978D+01 -0.265283D+01 -0.206223D+01 -0.246176D+01  0.702050D+00
      2   0.129797D+00  0.220859D+01  0.152622D+01  0.412080D+01  0.551109D+00
      3   0.143998D+01  0.444247D+00  0.536016D+00 -0.165904D+01 -0.125316D+01
      4   0.640385D+01  0.570462D+01  0.286949D+01  0.330820D+00 -0.170049D+01
      5   0.171577D+01  0.856721D+01  0.571390D+00 -0.991642D+00 -0.798408D-01
      6  -0.198216D+01 -0.870227D+01 -0.147945D+01 -0.197316D+00  0.165699D+01
               106           107           108           109           110 
      1  -0.398206D+01 -0.288078D+01  0.111189D+01  0.115386D+02 -0.317845D+01
      2   0.456542D+01  0.446766D+01 -0.680132D+01 -0.393801D+01 -0.485166D+00
      3  -0.583355D+00 -0.158689D+01  0.568943D+01 -0.760056D+01  0.366362D+01
      4   0.851410D+01 -0.404665D+01 -0.847666D+01 -0.201404D+02  0.112947D+02
      5   0.845644D+01 -0.260126D+01 -0.131643D+02  0.112226D+02 -0.442869D+01
      6  -0.940130D+01  0.307227D+01  0.166555D+02 -0.104361D+02  0.482845D+01
               111           112           113           114           115 
      1   0.450724D+01 -0.263548D+01 -0.323975D+01 -0.124545D+01  0.389115D+01
      2  -0.200956D+01 -0.254549D+00  0.627819D+01 -0.605864D+00 -0.302962D+01
      3  -0.249768D+01  0.289003D+01 -0.303844D+01  0.185131D+01 -0.861536D+00
      4  -0.958191D+01  0.876596D+01 -0.289362D+01  0.448118D+01 -0.127238D+02
      5   0.103080D+02 -0.231708D+01  0.212706D+01 -0.123146D+01  0.112284D+02
      6  -0.942670D+01  0.477844D+01 -0.131760D+01  0.480956D+01 -0.116827D+02
               116           117           118           119           120 
      1   0.115127D+01  0.196169D+01  0.498415D+02 -0.102317D+02  0.119497D+02
      2  -0.250265D+01 -0.421827D+01 -0.281595D+02  0.522046D+01 -0.671152D+01
      3   0.135138D+01  0.225658D+01 -0.216820D+02  0.501126D+01 -0.523821D+01
      4   0.527345D+01 -0.105491D+02 -0.113158D+02  0.730237D+01 -0.324709D+01
      5  -0.416444D+01  0.104554D+02  0.154319D+02 -0.340968D+01  0.103211D+02
      6   0.581354D+01 -0.118402D+02 -0.363632D+01  0.142077D+01 -0.134216D+01
               121           122           123           124           125 
      1  -0.663279D+01  0.489630D+01 -0.157110D+01  0.212834D+02 -0.455299D+01
      2   0.319409D+01 -0.150285D+01  0.445678D+00 -0.136543D+02  0.291195D+01
      3   0.343871D+01 -0.339345D+01  0.112542D+01 -0.762912D+01  0.164104D+01
      4   0.871913D+01 -0.432703D+01  0.279464D+01 -0.550348D+01  0.385942D+01
      5  -0.220375D+01  0.283543D+01 -0.137585D+01  0.149091D+02 -0.321886D+01
      6   0.177550D+01 -0.986438D+00  0.198089D+01 -0.268198D+01  0.187674D+01
               126 
      1   0.989506D+01
      2  -0.744935D+01
      3  -0.244571D+01
      4  -0.303420D+01
      5   0.883216D+01
      6  -0.195084D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.168203D+01      0.427530D+01      0.142609D+02
   x          0.154871D+01      0.393643D+01      0.131305D+02
   y          0.643250D+00      0.163498D+01      0.545370D+01
   z          0.130228D+00      0.331007D+00      0.110412D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.545377D+02      0.808165D+01      0.899205D+01
   aniso      0.174382D+02      0.258407D+01      0.287517D+01
   xx         0.632193D+02      0.936814D+01      0.104235D+02
   yx        -0.258434D+01     -0.382959D+00     -0.426099D+00
   yy         0.562968D+02      0.834233D+01      0.928209D+01
   zx        -0.722744D+00     -0.107100D+00     -0.119164D+00
   zy         0.651251D+00      0.965054D-01      0.107377D+00
   zz         0.440969D+02      0.653448D+01      0.727059D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.615174D+02      0.911594D+01      0.101428D+02
   aniso      0.194299D+02      0.287921D+01      0.320356D+01
   xx         0.705651D+02      0.104567D+02      0.116346D+02
   yx        -0.202114D+01     -0.299501D+00     -0.333240D+00
   yy         0.646681D+02      0.958282D+01      0.106623D+02
   zx        -0.998451D+00     -0.147955D+00     -0.164622D+00
   zy         0.681398D+00      0.100973D+00      0.112347D+00
   zz         0.493190D+02      0.730833D+01      0.813161D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.54354721          0.10789743          2.81323632
     6          0.20027468          1.35873309          0.31343411
     6          0.08798134         -0.48685048         -1.94270076
     8          1.23434714         -2.72438941         -1.60337706
     8          1.27950892         -1.82280845          3.38001315
     7         -1.32574102          3.60760059         -0.04667247
     8         -0.92916588          0.03841745         -3.90150443
     1          2.17943380          1.92969780          0.51026694
     1         -0.54471018          1.55745160          4.27791968
     1         -2.44299371         -0.70225701          2.67219370
     1          1.73880016         -2.88813589          0.16930590
     1         -2.99679917          3.12300562         -0.85395043
     1         -0.47934174          4.76969363         -1.30899538
     1          0.68001989         -2.85109160          4.75510032

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.168203D+01      0.427530D+01      0.142609D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.168203D+01      0.427530D+01      0.142609D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.545377D+02      0.808165D+01      0.899205D+01
   aniso      0.174382D+02      0.258407D+01      0.287517D+01
   xx         0.473045D+02      0.700980D+01      0.779945D+01
   yx        -0.612553D+01     -0.907710D+00     -0.100996D+01
   yy         0.561007D+02      0.831326D+01      0.924975D+01
   zx         0.315031D+01      0.466828D+00      0.519416D+00
   zy        -0.323421D+01     -0.479260D+00     -0.533249D+00
   zz         0.602079D+02      0.892189D+01      0.992694D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.615174D+02      0.911594D+01      0.101428D+02
   aniso      0.194299D+02      0.287921D+01      0.320356D+01
   xx         0.530074D+02      0.785488D+01      0.873973D+01
   yx        -0.707973D+01     -0.104911D+01     -0.116729D+01
   yy         0.634949D+02      0.940897D+01      0.104689D+02
   zx         0.326777D+01      0.484234D+00      0.538783D+00
   zy        -0.235294D+01     -0.348670D+00     -0.387948D+00
   zz         0.680500D+02      0.100840D+02      0.112199D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U23-21\Freq\RB3LYP\Gen\C3H7N1O3\PIERPA\12-Aug-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,1.29073,0.712663,0.358259\C,-0.059673,0.650207,-0.359706\
 C,-0.852428,-0.63102,-0.023937\O,-0.170827,-1.783936,-0.115771\O,2.106
 421,-0.370921,-0.116056\N,-0.796184,1.869755,-0.086038\O,-2.012397,-0.
 611288,0.285099\H,0.160738,0.608893,-1.4315\H,1.753555,1.672222,0.1254
 88\H,1.147859,0.642089,1.441905\H,0.778104,-1.587327,-0.255792\H,-1.29
 4207,1.773751,0.79315\H,-1.516728,1.999402,-0.785323\H,2.886618,-0.459
 251,0.440467\\Version=ES64L-G16RevA.03\State=1-A\HF=-399.1506876\RMSD=
 8.545e-09\RMSF=9.239e-06\ZeroPoint=0.112992\Thermal=0.1208934\Dipole=1
 .5487097,0.6432498,0.1302283\DipoleDeriv=0.490109,-0.221624,-0.1151438
 ,-0.2540244,0.5223843,0.0690672,-0.0920001,0.0979429,0.3471592,0.18463
 46,-0.2639407,0.0316686,-0.1822011,0.2825998,0.0019904,0.0147883,0.099
 0272,0.1533554,1.5498184,-0.2482888,-0.2928444,-0.2645363,1.2619486,0.
 0003002,-0.391718,-0.052763,0.2906387,-0.8663089,0.2478649,0.0521703,0
 .4926599,-1.0781043,-0.0932044,0.085268,-0.0234645,-0.3530341,-0.82869
 15,0.2083834,0.1264331,0.1563714,-0.7317632,-0.0298692,0.1267354,-0.06
 17126,-0.3855345,-0.3971529,0.0101826,-0.004821,0.0986538,-0.7133258,0
 .0046622,-0.0149603,-0.0378583,-0.2328641,-1.1880415,0.0471454,0.16231
 58,-0.1003473,-0.6072306,0.0261411,0.2447191,0.0094873,-0.3923246,0.02
 83298,0.0103021,0.0189165,-0.0044043,0.0082698,-0.0111593,0.0253804,-0
 .0313339,-0.0691162,-0.0263655,-0.0642563,0.013247,-0.044797,-0.109261
 4,0.0002063,0.0285166,0.0240521,0.0401554,0.0012302,0.0314192,0.040671
 2,0.0408335,0.0151075,0.027003,0.0199139,-0.0281469,-0.151366,0.567432
 2,0.0835286,0.029399,0.1156423,0.3721316,0.0340157,0.0122664,0.0441858
 ,0.2749555,0.1364405,0.084211,0.0576417,-0.0049619,0.2440812,0.1045974
 ,0.0339412,0.0520788,0.1065246,0.0718221,0.0747759,-0.0629303,-0.02708
 37,0.2615375,-0.0841752,-0.0274678,-0.0527509,0.1254526,0.2767435,0.00
 02966,-0.0567236,-0.0218049,0.271625,-0.0495752,-0.0653831,-0.038744,0
 .2459981\Polar=63.2193341,-2.5843363,56.2968222,-0.7227437,0.6512509,4
 4.0968707\Quadrupole=1.6494212,-4.1893546,2.5399334,-4.2329181,3.64159
 77,0.0697269\PG=C01 [X(C3H7N1O3)]\NImag=0\\0.46726472,0.06504781,0.539
 95913,-0.00753530,-0.03627668,0.57129983,-0.14124401,-0.02052097,-0.04
 277016,0.48630926,-0.02099159,-0.07563413,-0.00779854,-0.04535901,0.45
 783051,-0.05286827,-0.00917668,-0.10802201,-0.03004017,0.02173675,0.57
 002991,-0.02067159,-0.03018498,0.00383418,-0.08775587,-0.02528153,0.00
 036390,0.96185517,-0.01687235,0.01427537,-0.00348194,-0.01995865,-0.11
 835792,0.01050888,-0.02539385,0.52320793,-0.00757766,-0.01831986,0.007
 24271,-0.00186413,0.01182968,-0.09870587,-0.18794782,-0.01484801,0.279
 65552,-0.00617757,0.00950982,0.00121001,0.00769056,-0.00448191,0.00212
 680,-0.12784055,0.07819815,0.01152101,0.61286187,0.00546861,-0.0041753
 0,0.00098749,0.02200984,-0.02616460,-0.00256268,0.02575749,-0.27289759
 ,0.00495133,-0.01989668,0.37658019,0.00107744,0.00196199,-0.00136442,-
 0.00024217,0.00613994,0.01627798,0.01324659,-0.00446888,-0.05467586,-0
 .09091377,-0.00540398,0.04778933,-0.11610919,0.06362265,0.02460500,-0.
 02051794,0.03280317,0.01448417,0.00525381,-0.00415079,-0.00020949,-0.0
 1615799,-0.00867377,-0.00022620,0.49661372,0.03730805,-0.14647708,-0.0
 5466283,0.00774364,-0.00507529,-0.00163517,0.00559661,-0.01554023,0.00
 080886,-0.01691139,0.00572461,-0.00229684,-0.13234493,0.22662539,-0.00
 380200,-0.03381205,-0.09734152,-0.00630923,0.01341387,0.00831995,0.001
 44653,-0.00158570,0.00009204,-0.00391106,-0.00118652,0.00432839,0.2134
 2973,0.05861495,0.28339552,-0.01925830,0.02908180,0.00710392,-0.112127
 48,0.09647943,0.01599978,-0.00040073,-0.00229625,0.00043725,0.00330056
 ,-0.00445005,0.00077542,-0.00750491,0.00336926,-0.00433372,0.50601707,
 0.01106846,-0.00912024,0.00032875,0.04151469,-0.15960636,-0.01717232,0
 .01597243,-0.04012554,-0.00617728,-0.00092396,-0.01146478,0.00203924,0
 .00217660,0.00135698,0.00151638,-0.14278617,0.28676811,-0.00629278,0.0
 1413309,0.00563394,0.00574965,-0.02052929,-0.10596482,-0.00228087,0.00
 283977,0.00380209,0.00051683,0.00123542,0.00138409,-0.00531392,0.00195
 850,-0.00096006,0.01337734,-0.04201037,0.65460872,0.00028789,-0.002078
 36,0.00448982,-0.03976467,-0.00572903,0.01880167,-0.69432732,-0.025800
 44,0.16659536,-0.07355594,0.05152796,0.01833854,-0.00258493,-0.0031355
 3,-0.00075419,0.00499672,0.00374854,-0.00127652,0.80212480,0.00104524,
 -0.00708793,0.00252916,-0.02801970,0.00179283,0.00757538,-0.01312516,-
 0.10620671,0.00488086,0.06930590,0.00583267,-0.01581141,0.00107924,0.0
 0482824,0.00050359,-0.00760981,-0.00039712,0.00164615,-0.01808956,0.11
 020554,0.00061783,0.00572152,-0.00340583,0.02244757,0.00234205,0.02013
 808,0.16508704,0.00799933,-0.12074031,0.01843542,-0.01185669,0.0100543
 1,0.00060625,0.00019571,-0.00005268,-0.00157019,-0.00054859,0.00012729
 ,-0.20438643,-0.00142647,0.08465769,0.00207343,-0.00016236,-0.03331949
 ,-0.05360172,0.00024234,0.04944351,-0.00399684,-0.00048132,0.01984794,
 -0.00000510,-0.00032951,-0.00221297,0.00236464,-0.00088265,0.00161124,
 -0.00664884,0.00442420,0.01953792,-0.00214696,-0.00210499,-0.00229441,
 0.06561044,0.00052897,0.00040343,-0.00310556,-0.00107698,-0.04971610,0
 .00524114,-0.00415849,0.00376835,0.02931813,0.00017711,-0.00153103,-0.
 00336115,0.00026537,0.00028374,0.00083026,0.01029574,-0.00483702,-0.03
 179597,-0.00388456,-0.00283442,-0.00289050,-0.00399143,0.05788260,-0.0
 0005199,-0.00034958,-0.02110415,0.04914781,-0.00585943,-0.28893160,0.0
 0366259,0.00028560,-0.00842854,-0.00026050,0.00083763,0.00147691,0.001
 03424,0.00021936,0.00186691,0.00244962,-0.00192707,-0.00437816,-0.0002
 4986,0.00119701,0.00054784,-0.05296210,0.00717143,0.31556605,-0.101440
 27,-0.10573958,0.02749219,-0.01718389,-0.02671813,0.00512509,-0.002747
 03,0.00543763,-0.00481774,0.00182835,-0.00101838,0.00031640,0.00766610
 ,0.02920497,-0.00091641,0.00200001,-0.00047930,0.00023925,-0.00193108,
 -0.00180845,0.00190863,0.00165978,0.00033778,0.00022023,0.11003607,-0.
 10417381,-0.23861641,0.05486352,-0.00267698,-0.00285698,0.00086847,0.0
 0076937,0.00000659,-0.00072830,-0.00080071,0.00033432,0.00022386,0.003
 00996,-0.03024313,-0.00243360,0.00180352,0.00136919,0.00055184,-0.0003
 0417,0.00039624,0.00004151,0.00009731,0.00022652,-0.00021865,0.1037771
 9,0.26946749,0.03034688,0.05846226,-0.06980696,-0.01175164,-0.01492679
 ,0.00299989,-0.00245057,0.00207301,-0.00201192,0.00033007,-0.00036580,
 0.00027828,-0.00323803,-0.01681628,0.00491959,0.00135487,-0.00059768,0
 .00011985,-0.00119054,-0.00099314,0.00116043,0.00069030,-0.00053839,0.
 00104186,-0.02957589,-0.05423334,0.06878893,-0.05505077,-0.00647574,0.
 02605020,0.00283298,0.00125995,-0.03099074,0.00213619,0.00174987,-0.00
 058587,0.00051834,-0.00069297,0.00012869,-0.00798291,0.00984466,0.0237
 0986,0.00168718,-0.00090636,0.00139263,-0.00014610,-0.00002994,0.00021
 193,-0.00537197,-0.00007930,-0.00310832,0.00062722,-0.00286301,0.01501
 870,0.06051145,-0.00563006,-0.05594292,0.03198905,-0.00109940,0.001304
 61,-0.00256283,0.00022427,-0.00035667,-0.00097739,-0.00045131,0.000282
 96,0.00048111,0.01173125,-0.00690330,-0.03328034,-0.00041889,0.0002797
 6,-0.00051158,0.00016558,0.00027286,0.00009509,0.00033801,0.00045940,-
 0.00061475,-0.00322572,-0.00007748,0.02723307,-0.00124894,0.05868431,0
 .02851587,0.02634722,-0.29154615,0.00091118,0.00083320,-0.01544149,0.0
 0105851,0.00128235,-0.00016461,-0.00040629,-0.00062571,0.00037893,0.00
 707234,-0.00773076,-0.00643625,-0.00043655,0.00035462,0.00121228,-0.00
 092969,-0.00035598,0.00034860,-0.00244987,-0.00031500,0.00000225,0.000
 22751,0.00150777,-0.00694197,-0.03328632,-0.02119826,0.31825470,0.0099
 6395,-0.00674022,-0.00203788,0.00414742,0.00080319,0.00046547,-0.03419
 340,0.01091042,0.00547369,-0.40198107,-0.06915346,0.05909233,-0.003621
 69,0.00708805,0.00297778,-0.00224188,-0.00299885,-0.00069722,0.0069146
 3,-0.00043827,-0.00095120,0.00032586,-0.00006357,-0.00016171,-0.001852
 36,0.00179977,0.00057781,-0.00101231,0.00112541,0.00075202,0.42543882,
 0.00086901,-0.00997181,-0.00255112,0.00156442,-0.00300237,0.00058759,0
 .03910644,0.01574507,-0.00718900,-0.10730040,-0.07348567,0.01919524,0.
 00423703,-0.00278807,0.00247391,-0.00135184,0.00044187,-0.00018720,0.0
 0813813,-0.00935128,-0.00162880,0.00017749,-0.00054356,0.00040319,-0.0
 0029386,0.00058312,-0.00005379,-0.00035796,0.00046188,0.00037182,0.054
 81284,0.07701812,-0.00026737,-0.00299732,0.00052916,-0.00010653,0.0001
 9891,0.00080905,0.00327354,-0.00117366,-0.00683432,0.06055654,0.012733
 26,-0.02595589,0.00171050,0.00471587,-0.00488349,-0.00017306,0.0000276
 1,-0.00080784,0.00133178,-0.00076728,0.00726913,0.00009923,0.00089589,
 -0.00075217,0.00007539,0.00013102,-0.00017075,-0.00016514,-0.00046184,
 -0.00044811,-0.06509146,-0.01117074,0.03165092,-0.00023328,0.00058689,
 0.00276032,-0.01129720,-0.00434916,0.01756909,0.00184680,-0.00128189,-
 0.00092091,-0.00098010,0.00080957,0.00008480,-0.00027769,-0.00021166,-
 0.00107404,-0.13513088,0.00666245,0.17359732,-0.00014351,0.00005144,0.
 00019693,-0.00141062,0.00215926,-0.00031425,-0.00010462,0.00011245,0.0
 0009218,-0.00044221,0.00038052,-0.00084067,0.00033696,0.00017546,0.000
 14258,0.13598557,-0.00060313,0.00039966,-0.00034751,0.01839330,-0.0041
 4736,-0.03473264,0.00489496,-0.00115663,-0.00364833,-0.00178842,0.0021
 3821,0.00057075,-0.00007036,-0.00045432,0.00015840,-0.01085004,-0.0368
 7653,0.06951843,-0.00205919,0.00131588,0.00214254,0.00351859,-0.005296
 62,-0.00097281,-0.00009789,-0.00011500,0.00022864,0.00023018,0.0002960
 3,0.00028150,0.00059499,0.00043061,-0.00024233,-0.00663904,0.04487654,
 0.00022818,-0.00006037,0.00085900,0.00533479,-0.00182128,-0.00662596,0
 .00160957,0.00120293,0.00054612,-0.00055468,0.00129370,0.00013638,-0.0
 0026255,0.00001547,-0.00026686,0.13951560,0.03026546,-0.32015613,-0.00
 161634,0.00189522,-0.00011748,0.00103543,-0.00114151,0.00150685,-0.000
 05671,0.00004655,-0.00001189,0.00014484,0.00018965,-0.00017463,0.00028
 810,0.00004319,-0.00000354,-0.16266079,-0.03689980,0.35166741,-0.00072
 735,0.00407518,0.00251170,-0.01693926,-0.00269904,-0.01330194,0.001254
 66,-0.00038176,0.00006327,-0.00007286,-0.00038306,0.00008571,-0.001935
 63,0.00069079,-0.00105105,-0.23384836,0.06252100,-0.19778645,-0.000200
 94,-0.00023707,-0.00025620,0.00063730,-0.00057015,0.00031066,0.0003258
 2,0.00016877,0.00016019,0.00027685,-0.00014994,-0.00015204,-0.00031002
 ,-0.00014899,-0.00011781,0.01209690,-0.00558804,0.01705034,0.23973146,
 -0.00063532,-0.00388120,-0.00190832,0.02728538,-0.01217801,0.02421746,
 0.00484782,-0.00176042,0.00045289,-0.00134991,0.00041701,-0.00031328,0
 .00077546,0.00030548,0.00063599,0.02730667,-0.02730158,0.00243422,-0.0
 0197970,0.00102522,-0.00039971,-0.00052195,0.00181729,-0.00011284,0.00
 019213,0.00024157,-0.00017683,-0.00010936,-0.00014194,0.00010980,0.000
 31578,0.00028190,0.00011820,0.00137209,-0.00141078,0.00495881,-0.05773
 051,0.04269967,0.00060185,-0.00163951,0.00021843,0.00808658,-0.0038283
 9,0.00673350,-0.00089500,0.00022142,-0.00013138,0.00047826,-0.00089699
 ,-0.00008757,0.00117946,-0.00053388,0.00035188,-0.17525482,0.03423145,
 -0.23565367,0.00078441,-0.00108420,0.00025663,0.00102375,-0.00027260,0
 .00112786,0.00002109,-0.00011924,-0.00015205,0.00017412,0.00002310,0.0
 0037097,-0.00011913,0.00004378,0.00003848,-0.02853542,0.00384551,-0.02
 735958,0.19223119,-0.02980635,0.25432976,-0.01867767,-0.00002195,-0.01
 439451,-0.00054816,0.00402132,0.00282163,-0.00041329,0.00032123,-0.000
 01489,0.00057150,-0.00097557,0.00044919,-0.33520539,0.05264015,-0.2210
 2344,-0.00084017,0.00000628,-0.00076317,0.00047742,-0.00001889,-0.0000
 5318,0.00051060,0.00006026,0.00028358,0.00111590,-0.00071965,-0.000364
 33,0.00141607,-0.00174079,-0.00003601,-0.00191490,0.00037223,-0.001268
 20,-0.00024612,0.00006409,-0.00005578,-0.00028857,0.00023142,0.0002236
 4,0.35404277,0.02757011,-0.00413057,0.01943455,0.00020043,-0.00418884,
 -0.00289336,0.00097462,-0.00060161,-0.00035359,-0.00328629,-0.00159100
 ,0.00104341,0.02553911,-0.03164302,-0.00584914,0.00142662,-0.00048674,
 0.00071698,-0.00051965,0.00020799,0.00021301,-0.00032373,-0.00008257,-
 0.00005907,0.00043161,-0.00071605,0.00070508,-0.00032107,0.00138052,-0
 .00086258,0.00194392,0.00418019,-0.00200761,0.00017164,0.00000031,0.00
 001199,0.00043281,-0.00011422,-0.00018410,-0.05424013,0.03778561,0.017
 00732,-0.00399405,0.00680798,0.00140644,-0.00173068,-0.00161661,-0.000
 00817,-0.00085509,0.00035433,0.00087135,0.00085954,-0.00002086,-0.2548
 7151,0.01714704,-0.19333340,0.00075456,-0.00033020,0.00103241,0.000062
 00,0.00021111,-0.00024370,-0.00005047,-0.00003617,0.00045810,-0.000259
 05,-0.00050140,-0.00021330,0.00130542,-0.00040408,0.00058547,-0.000568
 62,-0.00033808,-0.00044063,-0.00009715,0.00009765,0.00000032,0.0002524
 3,-0.00021004,-0.00004325,0.23419545,-0.00991555,0.18667315\\0.0000152
 5,-0.00000110,-0.00000951,0.00000143,-0.00002201,0.00000528,-0.0000285
 8,0.00001584,-0.00000039,0.00000513,-0.00000749,-0.00000599,-0.0000177
 4,0.00001690,0.00001002,0.00001156,0.00000977,0.00000276,0.00000868,-0
 .00000407,0.00000095,-0.00000976,0.00000753,-0.00000206,0.00000007,0.0
 0000270,0.00000135,-0.00000251,0.00000089,0.00000175,0.00001183,-0.000
 01201,0.00000174,0.00000226,-0.00000395,-0.00000293,0.00000206,-0.0000
 0445,0.00000044,0.00000033,0.00000145,-0.00000342\\\@


 HE THAT RISETH LATE MUST TROT ALL DAY.

                  -- BENJAMIN FRANKLIN
 Job cpu time:       0 days  0 hours 42 minutes  7.4 seconds.
 Elapsed time:       0 days  0 hours  5 minutes 17.4 seconds.
 File lengths (MBytes):  RWF=    210 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 19:40:35 2021.
